(2E)-2-benzylidene-N-[2-(4-chlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

Formula:C24H19N2O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-benzylidene-N-[2-(4-chlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is a drug-like molecule.

MolName(2E)-2-benzylidene-N-[2-(4-chlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
MolecularFormulaC24H19N2O2ClS
SmilesO=C(c(cc1)cc(NC2=O)c1S/C2=C/c1ccccc1)NCCc(cc1)ccc1Cl
InChIInChI=1S/C24H19ClN2O2S/c25-19-9-6-16(7-10-19)12-13-26-23(28)18-8-11-21-20(15-18)27-24(29)22(30-21)14-17-4-2-1-3-5-17/h1-11,14-15H,12-13H2,(H,26,28)(H,27,29)
InChIKQPFCATFTFGJEQS-UHFFFAOYSA-N
TotalMolweight434.946
Molweight434.946
MonoisotopicMass434.085575
CLogP4.15
CLogS-6.59
H Acceptors4
H Donors2
TotalSurfaceArea322.84
Relative PSA0.20595
PolarSurfaceArea83.5
Druglikeness3.299
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.66667
Fragments1
Non HAtoms30
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms4
Amides2
StereoCon

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