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

Formula:C31H28N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-benzyl-5-[[2-(4-benzylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5Z)-3-benzyl-5-[[2-(4-benzylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C31H28N4O2S2
Smiles	O=C(/C(/S1)=C/C2=C(N3CCC(Cc4ccccc4)CC3)N=C(C=CC=C3)N3C2=O)N(Cc2ccccc2)C1=S
InChI	InChI=1S/C31H28N4O2S2/c36-29-25(20-26-30(37)35(31(38)39-26)21-24-11-5-2-6-12-24)28(32-27-13-7-8-16-34(27)29)33-17-14-23(15-18-33)19-22-9-3-1-4-10-22/h1-13,16,20,23H,14-15,17-19,21H2
InChIK	HHUJXZLGWHKNPM-UHFFFAOYSA-N
TotalMolweight	552.721
Molweight	552.721
MonoisotopicMass	552.165366
CLogP	3.7936
CLogS	-6.664
H Acceptors	6
TotalSurfaceArea	414.28
Relative PSA	0.22625
PolarSurfaceArea	113.61
Druglikeness	7.042
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.51282
Fragments	1
Non HAtoms	39
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	6
Amides	2
BasicNitrogens	1
StereoCon

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

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