5-acetyl-N-(4-bromo-3-methylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-(4-bromo-3-methylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-(4-bromo-3-methylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0141 |
| Compound Name: | 5-acetyl-N-(4-bromo-3-methylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 455.39 |
| Molecular Formula: | C18 H19 Br N2 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(Nc1ccc(c(C)c1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3639 |
| logD: | 3.8329 |
| logSw: | -4.1966 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.271 |
| InChI Key: | MKVWILZCPRQGPO-UHFFFAOYSA-N |