| MolName | (2Z)-2-benzylidene-3-oxo-N-(2-phenylethyl)-4H-1,4-benzothiazine-6-carboxamide |
| MolecularFormula | C24H20N2O2S |
| Smiles | O=C(c(cc1)cc(NC2=O)c1S/C2=C\c1ccccc1)NCCc1ccccc1 |
| InChI | InChI=1S/C24H20N2O2S/c27-23(25-14-13-17-7-3-1-4-8-17)19-11-12-21-20(16-19)26-24(28)22(29-21)15-18-9-5-2-6-10-18/h1-12,15-16H,13-14H2,(H,25,27)(H,26,28) |
| InChIK | WJPLRQGNOAFPMI-UHFFFAOYSA-N |
| TotalMolweight | 400.501 |
| Molweight | 400.501 |
| MonoisotopicMass | 400.124548 |
| CLogP | 3.544 |
| CLogS | -5.854 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 307.42 |
| Relative PSA | 0.21628 |
| PolarSurfaceArea | 83.5 |
| Druglikeness | 3.2401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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 - (2Z)-2-benzylidene-3-oxo-N-(2-phenylethyl)-4H-1,4-benzothiazine-6-carboxamide | 2 - (2Z)-2-benzylidene-3-oxo-N-(2-phenylethyl)-4H-1,4-benzothiazine-6-carboxamide