(E)-3-[(4-bromophenyl)methylsulfanyl]-3-(4-chloroanilino)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide

Formula:C23H16N3OBrCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[(4-bromophenyl)methylsulfanyl]-3-(4-chloroanilino)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[(4-bromophenyl)methylsulfanyl]-3-(4-chloroanilino)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
MolecularFormula	C23H16N3OBrCl2S
Smiles	N#C/C(/C(Nc(cc1)ccc1Cl)=O)=C(/Nc(cc1)ccc1Cl)\SCc(cc1)ccc1Br
InChI	InChI=1S/C23H16BrCl2N3OS/c24-16-3-1-15(2-4-16)14-31-23(29-20-11-7-18(26)8-12-20)21(13-27)22(30)28-19-9-5-17(25)6-10-19/h1-12,29H,14H2,(H,28,30)
InChIK	DEGWTHDJKGTXDT-UHFFFAOYSA-N
TotalMolweight	533.276
Molweight	533.276
MonoisotopicMass	530.957447
CLogP	6.5538
CLogS	-8.334
H Acceptors	4
H Donors	2
TotalSurfaceArea	358.8
Relative PSA	0.18676
PolarSurfaceArea	90.22
Druglikeness	-3.0517
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	6
Amides	1
StereoCon

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