2-(azepane-1-carbonyl)-N-(2H-1,3-benzodioxol-5-yl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-N-(2H-1,3-benzodioxol-5-yl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
2-(azepane-1-carbonyl)-N-(2H-1,3-benzodioxol-5-yl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Compound characteristics
| Compound ID: | L305-1709 |
| Compound Name: | 2-(azepane-1-carbonyl)-N-(2H-1,3-benzodioxol-5-yl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C22 H23 N3 O6 S2 |
| Smiles: | C1CCCN(CC1)C(C1C(Nc2cc(ccc2S1)S(Nc1ccc2c(c1)OCO2)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.199 |
| logD: | 2.8633 |
| logSw: | -3.524 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.86 |
| InChI Key: | NVCAIRFYRDAUEH-FQEVSTJZSA-N |