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

Formula:C23H27N5O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-(2-morpholin-4-ylethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5Z)-5-[[2-(2-morpholin-4-ylethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C23H27N5O4S2
Smiles	O=C(/C(/S1)=C/C2=C(NCCN3CCOCC3)N=C(C=CC=C3)N3C2=O)N(CC2OCCC2)C1=S
InChI	InChI=1S/C23H27N5O4S2/c29-21-17(14-18-22(30)28(23(33)34-18)15-16-4-3-11-32-16)20(25-19-5-1-2-7-27(19)21)24-6-8-26-9-12-31-13-10-26/h1-2,5,7,14,16,24H,3-4,6,8-13,15H2/t16-/m1/s1
InChIK	GMYQGXRZUDHVQY-MRXNPFEDSA-N
TotalMolweight	501.63
Molweight	501.63
MonoisotopicMass	501.150445
CLogP	-0.7666
CLogS	-3.627
H Acceptors	9
H Donors	1
TotalSurfaceArea	367.76
Relative PSA	0.34041
PolarSurfaceArea	144.1
Druglikeness	4.5253
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Sp3Atoms	16
Symmetricatoms	2
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	2
StereoCon	racemate

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

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