(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide

Formula:C22H16N3O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide is a drug-like molecule.

MolName	(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide
MolecularFormula	C22H16N3O2ClS
Smiles	O=C(c(cc1)cc(NC2=O)c1S/C2=C/c1cccc(Cl)c1)NCc1cnccc1
InChI	InChI=1S/C22H16ClN3O2S/c23-17-5-1-3-14(9-17)10-20-22(28)26-18-11-16(6-7-19(18)29-20)21(27)25-13-15-4-2-8-24-12-15/h1-12H,13H2,(H,25,27)(H,26,28)
InChIK	INKUMUBPAAVSFN-UHFFFAOYSA-N
TotalMolweight	421.907
Molweight	421.907
MonoisotopicMass	421.065174
CLogP	2.719
CLogS	-5.683
H Acceptors	5
H Donors	2
TotalSurfaceArea	307.84
Relative PSA	0.25162
PolarSurfaceArea	96.39
Druglikeness	3.1941
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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