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

Formula:C22H24N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-cyclohexyl-5-[(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-cyclohexyl-5-[(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C22H24N4O3S2
Smiles	O=C(/C(/S1)=C/C2=C(N3CCOCC3)N=C(C=CC=C3)N3C2=O)N(C2CCCCC2)C1=S
InChI	InChI=1S/C22H24N4O3S2/c27-20-16(14-17-21(28)26(22(30)31-17)15-6-2-1-3-7-15)19(24-10-12-29-13-11-24)23-18-8-4-5-9-25(18)20/h4-5,8-9,14-15H,1-3,6-7,10-13H2
InChIK	LLYVXGLQGDELNK-UHFFFAOYSA-N
TotalMolweight	456.59
Molweight	456.59
MonoisotopicMass	456.128981
CLogP	1.056
CLogS	-4.731
H Acceptors	7
TotalSurfaceArea	332.54
Relative PSA	0.31193
PolarSurfaceArea	122.84
Druglikeness	-0.52478
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Sp3Atoms	13
Symmetricatoms	4
Amides	2
BasicNitrogens	1
StereoCon

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

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