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

Formula:C26H18N3O2ClS Mutagenic:none Tumorigenic:high Reproductive Effective:high (2Z)-N-benzyl-2-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide is not a drug-like molecule.

MolName	(2Z)-N-benzyl-2-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
MolecularFormula	C26H18N3O2ClS
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C(\N(C1=O)c2ccccc2)/S/C1=C/c(cccc1)c1Cl
InChI	InChI=1S/C26H18ClN3O2S/c27-22-14-8-7-11-19(22)15-23-25(32)30(20-12-5-2-6-13-20)26(33-23)21(16-28)24(31)29-17-18-9-3-1-4-10-18/h1-15H,17H2,(H,29,31)
InChIK	DBHUXQDZLPEWEV-UHFFFAOYSA-N
TotalMolweight	471.967
Molweight	471.967
MonoisotopicMass	471.080824
CLogP	5.0299
CLogS	-6.865
H Acceptors	5
H Donors	1
TotalSurfaceArea	352.55
Relative PSA	0.20462
PolarSurfaceArea	98.5
Druglikeness	1.0122
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	2
StereoCon

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