3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]propanamide
Chemical Structure Depiction of
3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]propanamide
3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]propanamide
Compound characteristics
| Compound ID: | L705-2541 |
| Compound Name: | 3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]propanamide |
| Molecular Weight: | 488.5 |
| Molecular Formula: | C20 H19 F3 N2 O5 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(CCC(Nc1ccc(cc1)OC(F)(F)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6306 |
| logD: | 3.6304 |
| logSw: | -4.0503 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.298 |
| InChI Key: | JCTMKUFEQZVDKP-GFCCVEGCSA-N |