(5Z)-3-(furan-2-ylmethyl)-5-[[4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C22H20N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(furan-2-ylmethyl)-5-[[4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-(furan-2-ylmethyl)-5-[[4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C22H20N4O4S2
Smiles	O=C(/C(/S1)=C/C2=C(NC[C@@H]3OCCC3)N=C(C=CC=C3)N3C2=O)N(Cc2ccco2)C1=S
InChI	InChI=1S/C22H20N4O4S2/c27-20-16(11-17-21(28)26(22(31)32-17)13-15-6-4-10-30-15)19(23-12-14-5-3-9-29-14)24-18-7-1-2-8-25(18)20/h1-2,4,6-8,10-11,14,23H,3,5,9,12-13H2/t14-/m1/s1
InChIK	OFWHLUBQVWPLIV-CQSZACIVSA-N
TotalMolweight	468.557
Molweight	468.557
MonoisotopicMass	468.092596
CLogP	0.1714
CLogS	-5.142
H Acceptors	8
H Donors	1
TotalSurfaceArea	341.61
Relative PSA	0.36811
PolarSurfaceArea	144.77
Druglikeness	3.96
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	9
Amides	2
BasicNitrogens	1
StereoCon	this enantiomer

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1 - (5Z)-3-(furan-2-ylmethyl)-5-[[4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(furan-2-ylmethyl)-5-[[4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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