(2E)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

Formula:C22H14N4O2Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:high (2E)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is a drug-like molecule.

MolName	(2E)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
MolecularFormula	C22H14N4O2Cl2S
Smiles	NC(C(C(c(cccc1)c1Cl)C(C#N)=C(N)N1C2=O)=C1S/C2=C/c(cccc1)c1Cl)=O
InChI	InChI=1S/C22H14Cl2N4O2S/c23-14-7-3-1-5-11(14)9-16-21(30)28-19(26)13(10-25)17(12-6-2-4-8-15(12)24)18(20(27)29)22(28)31-16/h1-9,17H,26H2,(H2,27,29)/t17-/m0/s1
InChIK	BXVBIKHZKRUTPQ-KRWDZBQOSA-N
TotalMolweight	469.351
Molweight	469.351
MonoisotopicMass	468.02145
CLogP	3.9953
CLogS	-7.551
H Acceptors	6
H Donors	2
TotalSurfaceArea	321.95
Relative PSA	0.28334
PolarSurfaceArea	138.51
Druglikeness	0.62386
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	2
BasicNitrogens	1
StereoCon	racemate

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1 - (2E)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide | 2 - (2E)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

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