4-[(Z)-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

Formula:C31H26N3O4FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is not a drug-like molecule.

MolName	4-[(Z)-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
MolecularFormula	C31H26N3O4FS2
Smiles	NS(c1ccc(CCNC(c2ccc(/C=C3\Sc(cccc4)c4N(Cc(cccc4)c4F)C3=O)cc2)=O)cc1)(=O)=O
InChI	InChI=1S/C31H26FN3O4S2/c32-26-6-2-1-5-24(26)20-35-27-7-3-4-8-28(27)40-29(31(35)37)19-22-9-13-23(14-10-22)30(36)34-18-17-21-11-15-25(16-12-21)41(33,38)39/h1-16,19H,17-18,20H2,(H,34,36)(H2,33,38,39)
InChIK	LGPQJSLQIQRATP-UHFFFAOYSA-N
TotalMolweight	587.694
Molweight	587.694
MonoisotopicMass	587.134875
CLogP	4.1852
CLogS	-7.366
H Acceptors	7
H Donors	2
TotalSurfaceArea	423.23
Relative PSA	0.24202
PolarSurfaceArea	143.25
Druglikeness	2.384
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56098
Fragments	1
Non HAtoms	41
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	5
Symmetricatoms	5
Amides	3
StereoCon

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1 - 4-[(Z)-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide | 2 - 4-[(Z)-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

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