4-oxo-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
4-oxo-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
4-oxo-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | K906-5314 |
| Compound Name: | 4-oxo-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 446.47 |
| Molecular Formula: | C18 H17 F3 N2 O4 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(NCCOc1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.542 |
| logD: | 3.5417 |
| logSw: | -3.8176 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.408 |
| InChI Key: | OUOCCFBIVRLCGE-UHFFFAOYSA-N |