N-(4-bromo-3-methylphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(4-bromo-3-methylphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1577 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 427.34 |
| Molecular Formula: | C16 H15 Br N2 O3 S2 |
| Smiles: | Cc1cc(ccc1[Br])NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6081 |
| logD: | 3.0771 |
| logSw: | -3.7849 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.04 |
| InChI Key: | BNNJPFDLMPJMJO-UHFFFAOYSA-N |