3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide
Chemical Structure Depiction of
3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide
3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide
Compound characteristics
| Compound ID: | L705-0013 |
| Compound Name: | 3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide |
| Molecular Weight: | 458.48 |
| Molecular Formula: | C19 H17 F3 N2 O4 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(CCC(Nc1cccc(c1)C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8367 |
| logD: | 2.832 |
| logSw: | -3.518 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.304 |
| InChI Key: | QVCLGQCFIYDFSG-UHFFFAOYSA-N |