4-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
4-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
4-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1614 |
| Compound Name: | 4-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 418.41 |
| Molecular Formula: | C16 H13 F3 N2 O4 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(Nc1ccc(cc1)OC(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6578 |
| logD: | 3.6076 |
| logSw: | -4.0717 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.977 |
| InChI Key: | AGKPGQMUHAMBGX-UHFFFAOYSA-N |