3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-[2-(methylsulfanyl)phenyl]propanamide
Chemical Structure Depiction of
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-[2-(methylsulfanyl)phenyl]propanamide
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-[2-(methylsulfanyl)phenyl]propanamide
Compound characteristics
| Compound ID: | C071-0302 |
| Compound Name: | 3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-[2-(methylsulfanyl)phenyl]propanamide |
| Molecular Weight: | 525.52 |
| Molecular Formula: | C22 H18 F3 N3 O5 S2 |
| Smiles: | CSc1ccccc1NC(CCS(c1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9558 |
| logD: | 3.9558 |
| logSw: | -4.124 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.42 |
| InChI Key: | ZTHQOPIVAJVVPX-UHFFFAOYSA-N |