(5Z)-3-cyclohexyl-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C22H24N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-cyclohexyl-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-cyclohexyl-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C22H24N4O2S2
Smiles	O=C(/C(/S1)=C/C2=C(N3CCCC3)N=C(C=CC=C3)N3C2=O)N(C2CCCCC2)C1=S
InChI	InChI=1S/C22H24N4O2S2/c27-20-16(14-17-21(28)26(22(29)30-17)15-8-2-1-3-9-15)19(24-11-6-7-12-24)23-18-10-4-5-13-25(18)20/h4-5,10,13-15H,1-3,6-9,11-12H2
InChIK	LEZRNFLLGOKNKL-UHFFFAOYSA-N
TotalMolweight	440.591
Molweight	440.591
MonoisotopicMass	440.134066
CLogP	1.878
CLogS	-5.35
H Acceptors	6
TotalSurfaceArea	322.54
Relative PSA	0.2906
PolarSurfaceArea	113.61
Druglikeness	1.1438
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Sp3Atoms	12
Symmetricatoms	4
Amides	2
BasicNitrogens	1
StereoCon

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1 - (5Z)-3-cyclohexyl-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclohexyl-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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