3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{1-[(4-chlorophenyl)methyl]-5-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-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}propanamide
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}propanamide
Compound characteristics
| Compound ID: | C071-0338 |
| Compound Name: | 3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}propanamide |
| Molecular Weight: | 607.99 |
| Molecular Formula: | C26 H21 Cl F3 N5 O5 S |
| Smiles: | Cc1cc(NC(CCS(c2nc(cc(C(F)(F)F)n2)c2ccc3c(c2)OCO3)(=O)=O)=O)nn1Cc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6202 |
| logD: | 4.6106 |
| logSw: | -4.7565 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.613 |
| InChI Key: | FXISFDPFTURFDR-UHFFFAOYSA-N |