N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C700-0637 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C25 H20 N2 O4 S |
| Smiles: | Cc1cccc(\C=C2/C(Nc3cc(ccc3S2)C(NCc2ccc3c(c2)OCO3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9638 |
| logD: | 4.9638 |
| logSw: | -4.6783 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.373 |
| InChI Key: | SSMAFFNDSGLCAU-UHFFFAOYSA-N |