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

Formula:C14H12N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-(2-hydroxyethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-[[2-(2-hydroxyethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C14H12N4O3S2
Smiles	OCCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1)=O)\SC1=S)C2=O
InChI	InChI=1S/C14H12N4O3S2/c19-6-4-15-11-8(7-9-12(20)17-14(22)23-9)13(21)18-5-2-1-3-10(18)16-11/h1-3,5,7,15,19H,4,6H2,(H,17,20,22)
InChIK	SASPQZOPPDHJTQ-UHFFFAOYSA-N
TotalMolweight	348.406
Molweight	348.406
MonoisotopicMass	348.035081
CLogP	-1.5085
CLogS	-3.607
H Acceptors	7
H Donors	3
TotalSurfaceArea	249.39
Relative PSA	0.4918
PolarSurfaceArea	151.42
Druglikeness	5.2509
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.47826
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Sp3Atoms	5
Amides	2
BasicNitrogens	1
StereoCon

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

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