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

Formula:C31H26N2O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:low (5Z)-5-[(E)-1,5-bis(4-chlorophenyl)-5-oxo-3-phenylpent-2-enylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is not a drug-like molecule.

MolName	(5Z)-5-[(E)-1,5-bis(4-chlorophenyl)-5-oxo-3-phenylpent-2-enylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
MolecularFormula	C31H26N2O2Cl2S
Smiles	O=C(C/C(/c1ccccc1)=C\C(\c(cc1)ccc1Cl)=C1\SC(N2CCCCC2)=NC1=O)c(cc1)ccc1Cl
InChI	InChI=1S/C31H26Cl2N2O2S/c32-25-13-9-22(10-14-25)27(29-30(37)34-31(38-29)35-17-5-2-6-18-35)19-24(21-7-3-1-4-8-21)20-28(36)23-11-15-26(33)16-12-23/h1,3-4,7-16,19H,2,5-6,17-18,20H2
InChIK	UUDWLWBGBVPVAE-UHFFFAOYSA-N
TotalMolweight	561.531
Molweight	561.531
MonoisotopicMass	560.109202
CLogP	7.1828
CLogS	-7.855
H Acceptors	4
TotalSurfaceArea	413.07
Relative PSA	0.14194
PolarSurfaceArea	75.04
Druglikeness	3.0783
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.44737
Fragments	1
Non HAtoms	38
NonCHAtoms	7
Electronegative Atoms	7
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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