3-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
3-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
3-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1814 |
| Compound Name: | 3-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 432.44 |
| Molecular Formula: | C17 H15 F3 N2 O4 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(Nc1ccc(cc1)OC(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3037 |
| logD: | 4.2536 |
| logSw: | -4.2597 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.033 |
| InChI Key: | WRMSQWUMDGDNHO-SNVBAGLBSA-N |