2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(2-phenylethyl)acetamide

Formula:C25H21N2O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(2-phenylethyl)acetamide is a drug-like molecule.

MolName	2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(2-phenylethyl)acetamide
MolecularFormula	C25H21N2O2ClS
Smiles	O=C(CN(c(cccc1)c1S/C1=C\c(cc2)ccc2Cl)C1=O)NCCc1ccccc1
InChI	InChI=1S/C25H21ClN2O2S/c26-20-12-10-19(11-13-20)16-23-25(30)28(21-8-4-5-9-22(21)31-23)17-24(29)27-15-14-18-6-2-1-3-7-18/h1-13,16H,14-15,17H2,(H,27,29)
InChIK	WQANDEQHGVOZBZ-UHFFFAOYSA-N
TotalMolweight	448.973
Molweight	448.973
MonoisotopicMass	448.101225
CLogP	4.1532
CLogS	-6.328
H Acceptors	4
H Donors	1
TotalSurfaceArea	335.44
Relative PSA	0.17464
PolarSurfaceArea	74.71
Druglikeness	5.4068
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
Amides	2
StereoCon

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