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

Formula:C29H30N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-(4-benzylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-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-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C29H30N4O3S2
Smiles	O=C(/C(/S1)=C/C2=C(N3CCC(Cc4ccccc4)CC3)N=C(C=CC=C3)N3C2=O)N(CC2OCCC2)C1=S
InChI	InChI=1S/C29H30N4O3S2/c34-27-23(18-24-28(35)33(29(37)38-24)19-22-9-6-16-36-22)26(30-25-10-4-5-13-32(25)27)31-14-11-21(12-15-31)17-20-7-2-1-3-8-20/h1-5,7-8,10,13,18,21-22H,6,9,11-12,14-17,19H2/t22-/m1/s1
InChIK	HQBVZZODZFMGOK-JOCHJYFZSA-N
TotalMolweight	546.714
Molweight	546.714
MonoisotopicMass	546.175931
CLogP	2.6753
CLogS	-6.026
H Acceptors	7
TotalSurfaceArea	404.8
Relative PSA	0.25625
PolarSurfaceArea	122.84
Druglikeness	5.4825
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	38
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	14
Symmetricatoms	4
Amides	2
BasicNitrogens	1
StereoCon	racemate

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

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