N-(4-bromo-3-methylphenyl)-N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)glycinamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)glycinamide
N-(4-bromo-3-methylphenyl)-N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)glycinamide
Compound characteristics
| Compound ID: | E975-1785 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)glycinamide |
| Molecular Weight: | 498.42 |
| Molecular Formula: | C19 H20 Br N3 O4 S2 |
| Smiles: | Cc1cc(ccc1[Br])NC(CN(C)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4054 |
| logD: | 3.4047 |
| logSw: | -3.8117 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.104 |
| InChI Key: | KXPVSWPOVPANFY-UHFFFAOYSA-N |