N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
Compound characteristics
| Compound ID: | C312-0552 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C26 H22 N2 O4 S |
| Smiles: | Cc1ccc(\C=C2/C(N(CC(NCc3ccc4c(c3)OCO4)=O)c3ccccc3S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9649 |
| logD: | 4.9649 |
| logSw: | -4.5408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.657 |
| InChI Key: | ZRWYSSSHUPZDPC-UHFFFAOYSA-N |