1-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetyl]piperidine-4-carboxamide

Formula:C23H22N3O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetyl]piperidine-4-carboxamide is a drug-like molecule.

MolName	1-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetyl]piperidine-4-carboxamide
MolecularFormula	C23H22N3O3ClS
Smiles	NC(C(CC1)CCN1C(CN(c(cccc1)c1S/C1=C\c2cccc(Cl)c2)C1=O)=O)=O
InChI	InChI=1S/C23H22ClN3O3S/c24-17-5-3-4-15(12-17)13-20-23(30)27(18-6-1-2-7-19(18)31-20)14-21(28)26-10-8-16(9-11-26)22(25)29/h1-7,12-13,16H,8-11,14H2,(H2,25,29)
InChIK	SKHBFFZNKLVUBT-UHFFFAOYSA-N
TotalMolweight	455.965
Molweight	455.965
MonoisotopicMass	455.107039
CLogP	2.2997
CLogS	-5.198
H Acceptors	6
H Donors	1
TotalSurfaceArea	327.31
Relative PSA	0.2413
PolarSurfaceArea	109.01
Druglikeness	6.9855
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	3
StereoCon

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