(5Z)-5-[(E)-3-(4-chlorophenyl)-5-oxo-1,5-diphenylpent-2-enylidene]-2-piperidin-1-yl-1,3-thiazol-4-one

Formula:C31H27N2O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:low (5Z)-5-[(E)-3-(4-chlorophenyl)-5-oxo-1,5-diphenylpent-2-enylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is not a drug-like molecule.

MolName	(5Z)-5-[(E)-3-(4-chlorophenyl)-5-oxo-1,5-diphenylpent-2-enylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
MolecularFormula	C31H27N2O2ClS
Smiles	O=C(C/C(/c(cc1)ccc1Cl)=C\C(\c1ccccc1)=C1\SC(N2CCCCC2)=NC1=O)c1ccccc1
InChI	InChI=1S/C31H27ClN2O2S/c32-26-16-14-22(15-17-26)25(21-28(35)24-12-6-2-7-13-24)20-27(23-10-4-1-5-11-23)29-30(36)33-31(37-29)34-18-8-3-9-19-34/h1-2,4-7,10-17,20H,3,8-9,18-19,21H2
InChIK	AZFLPJKBRZKFBM-UHFFFAOYSA-N
TotalMolweight	527.086
Molweight	527.086
MonoisotopicMass	526.148175
CLogP	6.5768
CLogS	-7.119
H Acceptors	4
TotalSurfaceArea	397.65
Relative PSA	0.14744
PolarSurfaceArea	75.04
Druglikeness	3.0783
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.43243
Fragments	1
Non HAtoms	37
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	8
BasicNitrogens	1
StereoCon

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1 - (5Z)-5-[(E)-3-(4-chlorophenyl)-5-oxo-1,5-diphenylpent-2-enylidene]-2-piperidin-1-yl-1,3-thiazol-4-one | 2 - (5Z)-5-[(E)-3-(4-chlorophenyl)-5-oxo-1,5-diphenylpent-2-enylidene]-2-piperidin-1-yl-1,3-thiazol-4-one

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