(2E)-6-(azepane-1-carbonyl)-2-[(3-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one

Formula:C22H21N2O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-6-(azepane-1-carbonyl)-2-[(3-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one is a drug-like molecule.

MolName	(2E)-6-(azepane-1-carbonyl)-2-[(3-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one
MolecularFormula	C22H21N2O2ClS
Smiles	O=C(c(cc1)cc(NC2=O)c1S/C2=C/c1cccc(Cl)c1)N1CCCCCC1
InChI	InChI=1S/C22H21ClN2O2S/c23-17-7-5-6-15(12-17)13-20-21(26)24-18-14-16(8-9-19(18)28-20)22(27)25-10-3-1-2-4-11-25/h5-9,12-14H,1-4,10-11H2,(H,24,26)
InChIK	YJJFFMUIBRACJH-UHFFFAOYSA-N
TotalMolweight	412.94
Molweight	412.94
MonoisotopicMass	412.101225
CLogP	4.0433
CLogS	-6.019
H Acceptors	4
H Donors	1
TotalSurfaceArea	303.46
Relative PSA	0.19304
PolarSurfaceArea	74.71
Druglikeness	0.96733
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	3
Amides	2
StereoCon

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