3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(4-bromophenyl)propanamide
Chemical Structure Depiction of
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(4-bromophenyl)propanamide
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(4-bromophenyl)propanamide
Compound characteristics
| Compound ID: | C071-0294 |
| Compound Name: | 3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(4-bromophenyl)propanamide |
| Molecular Weight: | 558.33 |
| Molecular Formula: | C21 H15 Br F3 N3 O5 S |
| Smiles: | C(CS(c1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)(=O)=O)C(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7341 |
| logD: | 4.734 |
| logSw: | -4.8957 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.117 |
| InChI Key: | FHZUXRNYSWADLO-UHFFFAOYSA-N |