(5Z)-5-[[2-(4-benzylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C32H30N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-(4-benzylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5Z)-5-[[2-(4-benzylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C32H30N4O2S2
Smiles	O=C(/C(/S1)=C/C2=C(N3CCC(Cc4ccccc4)CC3)N=C(C=CC=C3)N3C2=O)N(CCc2ccccc2)C1=S
InChI	InChI=1S/C32H30N4O2S2/c37-30-26(22-27-31(38)36(32(39)40-27)20-16-23-9-3-1-4-10-23)29(33-28-13-7-8-17-35(28)30)34-18-14-25(15-19-34)21-24-11-5-2-6-12-24/h1-13,17,22,25H,14-16,18-21H2
InChIK	FAOMRJDYDWFNGL-UHFFFAOYSA-N
TotalMolweight	566.748
Molweight	566.748
MonoisotopicMass	566.181016
CLogP	4.2237
CLogS	-6.776
H Acceptors	6
TotalSurfaceArea	428.04
Relative PSA	0.21897
PolarSurfaceArea	113.61
Druglikeness	7.042
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.525
Fragments	1
Non HAtoms	40
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	6
Amides	2
BasicNitrogens	1
StereoCon

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1 - (5Z)-5-[[2-(4-benzylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[2-(4-benzylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

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