4-[(E)-[4-[(3-chlorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-(2-phenylethyl)benzamide

Formula:C31H25N2O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-[4-[(3-chlorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-(2-phenylethyl)benzamide is not a drug-like molecule.

MolName	4-[(E)-[4-[(3-chlorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-(2-phenylethyl)benzamide
MolecularFormula	C31H25N2O2ClS
Smiles	O=C(c1ccc(/C=C2/Sc(cccc3)c3N(Cc3cccc(Cl)c3)C2=O)cc1)NCCc1ccccc1
InChI	InChI=1S/C31H25ClN2O2S/c32-26-10-6-9-24(19-26)21-34-27-11-4-5-12-28(27)37-29(31(34)36)20-23-13-15-25(16-14-23)30(35)33-18-17-22-7-2-1-3-8-22/h1-16,19-20H,17-18,21H2,(H,33,35)
InChIK	STCRLPQVMISONG-UHFFFAOYSA-N
TotalMolweight	525.071
Molweight	525.071
MonoisotopicMass	524.132525
CLogP	5.9264
CLogS	-7.889
H Acceptors	4
H Donors	1
TotalSurfaceArea	395.2
Relative PSA	0.14823
PolarSurfaceArea	74.71
Druglikeness	5.0969
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56757
Fragments	1
Non HAtoms	37
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	4
Amides	2
StereoCon

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