5-acetyl-N-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0196 |
| Compound Name: | 5-acetyl-N-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 446.47 |
| Molecular Formula: | C18 H17 F3 N2 O4 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(Nc1ccc(cc1)OC(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4137 |
| logD: | 4.3635 |
| logSw: | -4.311 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.208 |
| InChI Key: | ITSXASAQWDHXHS-UHFFFAOYSA-N |