N-(3,4-dimethylphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(3,4-dimethylphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1557 |
| Compound Name: | N-(3,4-dimethylphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 362.47 |
| Molecular Formula: | C17 H18 N2 O3 S2 |
| Smiles: | Cc1ccc(cc1C)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4209 |
| logD: | 3.3995 |
| logSw: | -3.7112 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.04 |
| InChI Key: | QBBRMEYTRDSENZ-UHFFFAOYSA-N |