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

Formula:C22H22N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-2-(4-benzylpiperidin-1-yl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5Z)-2-(4-benzylpiperidin-1-yl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
MolecularFormula	C22H22N2O2S
Smiles	Oc1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1
InChI	InChI=1S/C22H22N2O2S/c25-19-8-6-17(7-9-19)15-20-21(26)23-22(27-20)24-12-10-18(11-13-24)14-16-4-2-1-3-5-16/h1-9,15,18,25H,10-14H2
InChIK	CIVCREUNSOUETL-UHFFFAOYSA-N
TotalMolweight	378.495
Molweight	378.495
MonoisotopicMass	378.140198
CLogP	4.1145
CLogS	-4.798
H Acceptors	4
H Donors	1
TotalSurfaceArea	286.89
Relative PSA	0.20457
PolarSurfaceArea	78.2
Druglikeness	6.0199
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
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	8
Symmetricatoms	6
BasicNitrogens	1
StereoCon

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