(5Z)-2-(4-benzylpiperidin-1-yl)-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-4-one

Formula:C22H21N2OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-2-(4-benzylpiperidin-1-yl)-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-4-one is not a drug-like molecule.

MolName	(5Z)-2-(4-benzylpiperidin-1-yl)-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-4-one
MolecularFormula	C22H21N2OClS
Smiles	O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c(cc1)ccc1Cl
InChI	InChI=1S/C22H21ClN2OS/c23-19-8-6-17(7-9-19)15-20-21(26)24-22(27-20)25-12-10-18(11-13-25)14-16-4-2-1-3-5-16/h1-9,15,18H,10-14H2
InChIK	KXSARXUCUHIRCA-UHFFFAOYSA-N
TotalMolweight	396.941
Molweight	396.941
MonoisotopicMass	396.10631
CLogP	5.0662
CLogS	-5.83
H Acceptors	3
TotalSurfaceArea	295.96
Relative PSA	0.15404
PolarSurfaceArea	57.97
Druglikeness	6.0589
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	6
BasicNitrogens	1
StereoCon

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