2-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
2-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
2-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1606 |
| Compound Name: | 2-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: | CC1CC(Nc2cc(ccc2S1)S(Nc1ccc(cc1)OC(F)(F)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0985 |
| logD: | 4.0483 |
| logSw: | -4.2286 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.977 |
| InChI Key: | VJDOBLWQZQZWGQ-SNVBAGLBSA-N |