N-[(3-bromo-4-methylphenyl)methyl]-N-(2-methoxyethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(3-bromo-4-methylphenyl)methyl]-N-(2-methoxyethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(3-bromo-4-methylphenyl)methyl]-N-(2-methoxyethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2713 |
| Compound Name: | N-[(3-bromo-4-methylphenyl)methyl]-N-(2-methoxyethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 499.44 |
| Molecular Formula: | C20 H23 Br N2 O4 S2 |
| Smiles: | Cc1ccc(CN(CCOC)S(c2ccc3c(c2)NC(CCS3)=O)(=O)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.6918 |
| logD: | 3.6915 |
| logSw: | -3.8653 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.087 |
| InChI Key: | GNJUOQHWFIMYIP-UHFFFAOYSA-N |