(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
Molecular Formula : C24H14N3O2BrCl2S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.
MolName : (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide |
MolecularFormula : C24H14N3O2BrCl2S |
Smiles : N#C/C(/C(Nc1ncc(Cc(cc(cc2)Cl)c2Cl)s1)=O)=C\c1ccc(-c(cc2)ccc2Br)o1 |
InChI : InChI=1S/C24H14BrCl2N3O2S/c25-17-3-1-14(2-4-17)22-8-6-19(32-22)10-16(12-28)23(31)30-24-29-13-20(33-24)11-15-9-18(26)5-7-21(15)27/h1-10,13H,11H2,(H,29,30,31) |
InChIK : BFMHHCLEZQMHGP-UHFFFAOYSA-N |
TotalMolweight : 559.27 |
Molweight : 559.27 |
MonoisotopicMass : 556.936712 |
CLogP : 7.3878 |
CLogS : -9.09 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 375.79 |
Relative PSA : 0.2222 |
PolarSurfaceArea : 107.16 |
Druglikeness : -1.2372 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : twice activated DB; limit! thiazol-2-ylamine |
Shape Index : 0.60606 |
Fragments : 1 |
Non HAtoms : 33 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 6 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 4 |
Aromatic Atoms : 22 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
Amides : 1 |
Aromatic Nitrogens : 1 |
StereoCon : |