methyl 2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Chemical Structure Depiction of
methyl 2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
methyl 2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Compound characteristics
| Compound ID: | K783-6082 |
| Compound Name: | methyl 2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate |
| Molecular Weight: | 325.38 |
| Molecular Formula: | C18 H15 N O3 S |
| Smiles: | Cc1cccc(\C=C2/C(Nc3cc(ccc3S2)C(=O)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5243 |
| logD: | 4.5243 |
| logSw: | -4.3509 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.018 |
| InChI Key: | WEUGNHYVKKGNFX-UHFFFAOYSA-N |