(5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C26H26N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C26H26N4O3S2
Smiles	O=C(/C(/S1)=C/C2=C(NCC3OCCC3)N=C(C=CC=C3)N3C2=O)N(CCCc2ccccc2)C1=S
InChI	InChI=1S/C26H26N4O3S2/c31-24-20(23(27-17-19-11-7-15-33-19)28-22-12-4-5-13-29(22)24)16-21-25(32)30(26(34)35-21)14-6-10-18-8-2-1-3-9-18/h1-5,8-9,12-13,16,19,27H,6-7,10-11,14-15,17H2/t19-/m1/s1
InChIK	HMXMTTCZJKRXIG-LJQANCHMSA-N
TotalMolweight	506.649
Molweight	506.649
MonoisotopicMass	506.144631
CLogP	1.8672
CLogS	-5.842
H Acceptors	7
H Donors	1
TotalSurfaceArea	379.44
Relative PSA	0.29422
PolarSurfaceArea	131.63
Druglikeness	4.5719
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	2
Amides	2
BasicNitrogens	1
StereoCon	racemate

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1 - (5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

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