| MolName | (2Z)-N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide |
| MolecularFormula | C18H15N2O2ClS |
| Smiles | O=C(/C=C1\Sc(cccc2)c2NC1=O)NCCc(cc1)ccc1Cl |
| InChI | InChI=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) |
| InChIK | TXJNMMSNEVYSIZ-UHFFFAOYSA-N |
| TotalMolweight | 358.848 |
| Molweight | 358.848 |
| MonoisotopicMass | 358.054275 |
| CLogP | 2.2722 |
| CLogS | -4.824 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 263.08 |
| Relative PSA | 0.25274 |
| PolarSurfaceArea | 83.5 |
| Druglikeness | 1.8004 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (2Z)-N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide | 2 - (2Z)-N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide