3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(2-bromo-4,6-difluorophenyl)propanamide
Chemical Structure Depiction of
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(2-bromo-4,6-difluorophenyl)propanamide
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(2-bromo-4,6-difluorophenyl)propanamide
Compound characteristics
| Compound ID: | C071-0301 |
| Compound Name: | 3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(2-bromo-4,6-difluorophenyl)propanamide |
| Molecular Weight: | 594.31 |
| Molecular Formula: | C21 H13 Br F5 N3 O5 S |
| Smiles: | C(CS(c1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)(=O)=O)C(Nc1c(cc(cc1[Br])F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3256 |
| logD: | 4.2398 |
| logSw: | -4.4699 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.722 |
| InChI Key: | LIJZCUCOTRMGJB-UHFFFAOYSA-N |