3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}propanamide
Chemical Structure Depiction of
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}propanamide
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}propanamide
Compound characteristics
| Compound ID: | C071-0337 |
| Compound Name: | 3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}propanamide |
| Molecular Weight: | 573.55 |
| Molecular Formula: | C26 H22 F3 N5 O5 S |
| Smiles: | Cc1ccc(Cn2ccc(NC(CCS(c3nc(cc(C(F)(F)F)n3)c3ccc4c(c3)OCO4)(=O)=O)=O)n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1905 |
| logD: | 4.1897 |
| logSw: | -4.2927 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.073 |
| InChI Key: | KXRINCFPZDZOEL-UHFFFAOYSA-N |