(8E)-7-amino-8-benzylidene-6-cyano-4-oxo-3-phenylpyrrolo[2,1-c][1,4]thiazine-1-carboxamide

Formula:C22H16N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (8E)-7-amino-8-benzylidene-6-cyano-4-oxo-3-phenylpyrrolo[2,1-c][1,4]thiazine-1-carboxamide is a drug-like molecule.

MolName	(8E)-7-amino-8-benzylidene-6-cyano-4-oxo-3-phenylpyrrolo[2,1-c][1,4]thiazine-1-carboxamide
MolecularFormula	C22H16N4O2S
Smiles	NC(C(SC1c2ccccc2)=C(/C(/C(N)=C2C#N)=C/c3ccccc3)N2C1=O)=O
InChI	InChI=1S/C22H16N4O2S/c23-12-16-17(24)15(11-13-7-3-1-4-8-13)18-20(21(25)27)29-19(22(28)26(16)18)14-9-5-2-6-10-14/h1-11,19H,24H2,(H2,25,27)/t19-/m0/s1
InChIK	QVWYDJMAYIAUCT-IBGZPJMESA-N
TotalMolweight	400.461
Molweight	400.461
MonoisotopicMass	400.099396
CLogP	2.2942
CLogS	-4.674
H Acceptors	6
H Donors	2
TotalSurfaceArea	291.11
Relative PSA	0.31335
PolarSurfaceArea	138.51
Druglikeness	0.36348
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	2
BasicNitrogens	1
StereoCon	racemate

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1 - (8E)-7-amino-8-benzylidene-6-cyano-4-oxo-3-phenylpyrrolo[2,1-c][1,4]thiazine-1-carboxamide | 2 - (8E)-7-amino-8-benzylidene-6-cyano-4-oxo-3-phenylpyrrolo[2,1-c][1,4]thiazine-1-carboxamide

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