N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-8457 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C28 H26 N2 O6 S |
| Smiles: | CCOc1ccc(\C=C2/C(N(C)c3cc(ccc3S2)C(NCc2ccc3c(c2)OCO3)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.2168 |
| logD: | 4.2168 |
| logSw: | -4.3426 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.476 |
| InChI Key: | RQOFEMQELHIGGG-UHFFFAOYSA-N |