methyl 2-[(2-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Chemical Structure Depiction of
methyl 2-[(2-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
methyl 2-[(2-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Compound characteristics
| Compound ID: | K783-5976 |
| Compound Name: | methyl 2-[(2-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: | Cc1ccccc1\C=C1/C(Nc2cc(ccc2S1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5101 |
| logD: | 4.5101 |
| logSw: | -4.3448 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.018 |
| InChI Key: | YBCQNBVPWCOKQS-UHFFFAOYSA-N |