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MolName : (E)-2-cyano-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide

MolecularFormula : C24H14N4O4Cl2S

Smiles : N#C/C(/C(Nc1ncc(Cc(cc2)cc(Cl)c2Cl)s1)=O)=C\c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1

InChI : InChI=1S/C24H14Cl2N4O4S/c25-20-7-1-14(10-21(20)26)9-19-13-28-24(35-19)29-23(31)16(12-27)11-18-6-8-22(34-18)15-2-4-17(5-3-15)30(32)33/h1-8,10-11,13H,9H2,(H,28,29,31)

InChIK : JCKKNPSMQMFFFP-UHFFFAOYSA-N

TotalMolweight : 525.371

Molweight : 525.371

MonoisotopicMass : 524.01128

CLogP : 5.741

CLogS : -8.716

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 380.83

Relative PSA : 0.29914

PolarSurfaceArea : 152.98

Druglikeness : -4.4494

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB; aromatic nitro; limit! thiazol-2-ylamine

Shape Index : 0.62857

Fragments : 1

Non HAtoms : 35

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 7

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 2

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :