Software for chemicals, Pharmaceutical & Biotech Industry

Compound 135
  CheckMol                        TMF02:r0:m0
MF=C25H28N6O MW=428.54
 32 36  0  5  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3162   -0.7404   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4807   -2.2211   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7029   -0.1175   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9614   -2.5266   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3761   -3.2082   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7135   -1.2222   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0896    0.5053   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7157    1.0106   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5843   -3.8898   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0341   -2.7381   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9486    2.0095   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4796    2.3268   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7146   -5.0885   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1388   -3.7253   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.3397   -1.2574   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.3375   -6.4517   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490   -3.2552   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.7499   -0.7874   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4679   -7.6503   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8545   -1.7745   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2647   -1.3044   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.5703    0.1763   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.3694   -2.2916   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.4421    1.1869   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.9805    0.6463   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7796   -1.8215   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.9614    0.8814   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    4.5832    2.6911   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    8.0851   -0.3408   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.1976    2.1976   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.1965    3.3140   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  1  0  0
  3  6  1  0  0  0  0
  4  7  1  0  1  0  0
  4  8  1  0  1  0  0
  4  9  1  0  1  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  1  0  0
  9 13  1  0  1  0  0
 10 14  1  0  0  0  0
 11 15 02  0  1  0  0
 11 16 01  0  1  0  0
 14 17  1  0  0  0  0
 15 18 01  0  1  0  0
 16 19 02  0  1  0  0
 17 20  1  0  0  0  0
 18 21 02  0  1  0  0
 21 22  1  0  0  0  0
 22 23 02  0  1  0  0
 22 24 01  0  1  0  0
 23 25  1  0  0  0  0
 23 26 01  0  1  0  0
 24 27 02  0  1  0  0
 25 28 01  0  1  0  0
 25 29 02  0  1  0  0
 26 30 02  0  1  0  0
 28 31 02  0  1  0  0
 29 32 01  0  1  0  0
  5  7  2  0  1  0  0
 12 13  1  0  1  0  0
 19 21 01  0  1  0  0
 27 30 01  0  1  0  0
 31 32 01  0  1  0  0
M  END

Irbesartan

₹ 0.00 0.00

Chemical Name - Irbesartan
Mol Weight - 428.538
Smiles - CCCCC(N1Cc(cc2)ccc2-c(cccc2)c2-c2n[nH]nn2)=NC2(CCCC2)C1=O

Property Name	Property Value
Mol Name	Irbesartan
Molweight	428.538
Monoisotopic Mass	428.232459
Clogp	4.0191
Clogs	-6.887
H Acceptors	7
H Donors	1
Total Surface Area	335.4
Relative Psa	0.22361
Polar Surface Area	87.13
Druglikeness	-6.2491
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.40593
Molecular Complexity	0.8878
Fragments	1
Non H Atoms	32
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3 Atoms	10
Symmetric Atoms	4
Amides	1
Aromatic Nitrogens	4
Basic Nitrogens	1
Smiles	CCCCC(N1Cc(cc2)ccc2-c(cccc2)c2-c2n[nH]nn2)=NC2(CCCC2)C1=O
InChIKey	InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
InChI	YOSHYTLCDANDAN-UHFFFAOYSA-N

Copyrights

The copyrights of data, design, and listing all reserved to Global Manufacturers and its associated sites.

Company profile , trade leads and products are user generated content.

Molecule Properties are generated theoretically any objection please contact us

Shipping

Usually delivered in 3-4 days

Enter pincode for exact delivery dates/charges

Credit / Debit Card Payment

We accept all major credit / debit card for payment, you can also pay through online banking.

Cash On Delivery

If Available. Select Cash on Delivery (CoD) payment option while placing the order and later, pay in cash at the time of actual delivery of product. No advance payment needed.

Click to Load Molecule
1 - Irbesartan
2 - Irbesartan

Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

Irbesartan