N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1460 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 450.88 |
| Molecular Formula: | C17 H14 Cl F3 N2 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(Nc1ccc(c(c1)C(F)(F)F)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4814 |
| logD: | 1.5144 |
| logSw: | -4.5706 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.04 |
| InChI Key: | LDXDSEWOXJUQQK-SECBINFHSA-N |