2-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
2-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
2-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1459 |
| Compound Name: | 2-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 416.44 |
| Molecular Formula: | C17 H15 F3 N2 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(Nc1cccc(c1)C(F)(F)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9175 |
| logD: | 2.7194 |
| logSw: | -4.0594 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.04 |
| InChI Key: | HJPKYCIZDGMBPU-SNVBAGLBSA-N |