(5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C25H24N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C25H24N4O3S2
Smiles	O=C(/C(/S1)=C/C2=C(NCC3OCCC3)N=C(C=CC=C3)N3C2=O)N(CCc2ccccc2)C1=S
InChI	InChI=1S/C25H24N4O3S2/c30-23-19(15-20-24(31)29(25(33)34-20)13-11-17-7-2-1-3-8-17)22(26-16-18-9-6-14-32-18)27-21-10-4-5-12-28(21)23/h1-5,7-8,10,12,15,18,26H,6,9,11,13-14,16H2/t18-/m1/s1
InChIK	GQICLGQYGMSVHW-GOSISDBHSA-N
TotalMolweight	492.623
Molweight	492.623
MonoisotopicMass	492.128981
CLogP	1.4128
CLogS	-5.572
H Acceptors	7
H Donors	1
TotalSurfaceArea	365.68
Relative PSA	0.30529
PolarSurfaceArea	131.63
Druglikeness	4.4212
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	10
Symmetricatoms	2
Amides	2
BasicNitrogens	1
StereoCon	racemate

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1 - (5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

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