(2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-N-(4-chlorophenyl)-2-cyanoacetamide

Formula:C25H18N3O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high (2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-N-(4-chlorophenyl)-2-cyanoacetamide is not a drug-like molecule.

MolName	(2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-N-(4-chlorophenyl)-2-cyanoacetamide
MolecularFormula	C25H18N3O2ClS
Smiles	N#C/C(/C(Nc(cc1)ccc1Cl)=O)=C(\N1c2ccccc2)/SC(Cc2ccccc2)C1=O
InChI	InChI=1S/C25H18ClN3O2S/c26-18-11-13-19(14-12-18)28-23(30)21(16-27)25-29(20-9-5-2-6-10-20)24(31)22(32-25)15-17-7-3-1-4-8-17/h1-14,22H,15H2,(H,28,30)/t22-/m1/s1
InChIK	RXJIQXNHXXVKOX-JOCHJYFZSA-N
TotalMolweight	459.956
Molweight	459.956
MonoisotopicMass	459.080824
CLogP	5.3211
CLogS	-6.55
H Acceptors	5
H Donors	1
TotalSurfaceArea	340.34
Relative PSA	0.21196
PolarSurfaceArea	98.5
Druglikeness	1.2571
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	6
Amides	2
StereoCon	racemate

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