| MolName | (2E)-2-benzylidene-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide |
| MolecularFormula | C21H16N2O3S |
| Smiles | O=C(c(cc1)cc(NC2=O)c1S/C2=C/c1ccccc1)NCc1ccco1 |
| InChI | InChI=1S/C21H16N2O3S/c24-20(22-13-16-7-4-10-26-16)15-8-9-18-17(12-15)23-21(25)19(27-18)11-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,24)(H,23,25) |
| InChIK | YIXZWHAOCRZLNL-UHFFFAOYSA-N |
| TotalMolweight | 376.435 |
| Molweight | 376.435 |
| MonoisotopicMass | 376.088163 |
| CLogP | 2.3026 |
| CLogS | -5.424 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 283.35 |
| Relative PSA | 0.28445 |
| PolarSurfaceArea | 96.64 |
| Druglikeness | 2.8833 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (2E)-2-benzylidene-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide | 2 - (2E)-2-benzylidene-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide