| MolName | (2E)-2-benzylidene-N-[2-(4-chlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide |
| MolecularFormula | C24H19N2O2ClS |
| Smiles | O=C(c(cc1)cc(NC2=O)c1S/C2=C/c1ccccc1)NCCc(cc1)ccc1Cl |
| InChI | InChI=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) |
| InChIK | QPFCATFTFGJEQS-UHFFFAOYSA-N |
| TotalMolweight | 434.946 |
| Molweight | 434.946 |
| MonoisotopicMass | 434.085575 |
| CLogP | 4.15 |
| CLogS | -6.59 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 322.84 |
| Relative PSA | 0.20595 |
| PolarSurfaceArea | 83.5 |
| Druglikeness | 3.299 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (2E)-2-benzylidene-N-[2-(4-chlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide | 2 - (2E)-2-benzylidene-N-[2-(4-chlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide