(2Z)-N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide

Formula:C18H15N2O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide is a drug-like molecule.

MolName(2Z)-N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
MolecularFormulaC18H15N2O2ClS
SmilesO=C(/C=C1\Sc(cccc2)c2NC1=O)NCCc(cc1)ccc1Cl
InChIInChI=1S/C18H15ClN2O2S/c19-13-7-5-12(6-8-13)9-10-20-17(22)11-16-18(23)21-14-3-1-2-4-15(14)24-16/h1-8,11H,9-10H2,(H,20,22)(H,21,23)
InChIKTXJNMMSNEVYSIZ-UHFFFAOYSA-N
TotalMolweight358.848
Molweight358.848
MonoisotopicMass358.054275
CLogP2.2722
CLogS-4.824
H Acceptors4
H Donors2
TotalSurfaceArea263.08
Relative PSA0.25274
PolarSurfaceArea83.5
Druglikeness1.8004
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.66667
Fragments1
Non HAtoms24
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms2
Amides2
StereoCon

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