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

Formula:C19H12N3O2ClS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (5Z)-3-benzyl-5-[(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-benzyl-5-[(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C19H12N3O2ClS2
Smiles	O=C(/C(/S1)=C/C(C(N(C=CC=C2)C2=N2)=O)=C2Cl)N(Cc2ccccc2)C1=S
InChI	InChI=1S/C19H12ClN3O2S2/c20-16-13(17(24)22-9-5-4-8-15(22)21-16)10-14-18(25)23(19(26)27-14)11-12-6-2-1-3-7-12/h1-10H,11H2
InChIK	JHANVEVACCFEHT-UHFFFAOYSA-N
TotalMolweight	413.908
Molweight	413.908
MonoisotopicMass	413.005944
CLogP	1.4892
CLogS	-4.549
H Acceptors	5
TotalSurfaceArea	291.84
Relative PSA	0.309
PolarSurfaceArea	110.37
Druglikeness	5.335
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; 3-halo-enone
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	2
Amides	2
BasicNitrogens	1
StereoCon

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

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