3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}propanamide
Chemical Structure Depiction of
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}propanamide
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}propanamide
Compound characteristics
| Compound ID: | C071-0341 |
| Compound Name: | 3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}propanamide |
| Molecular Weight: | 601.6 |
| Molecular Formula: | C28 H26 F3 N5 O5 S |
| Smiles: | Cc1ccc(Cn2c(C)c(c(C)n2)NC(CCS(c2nc(cc(C(F)(F)F)n2)c2ccc3c(c2)OCO3)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9506 |
| logD: | 3.9505 |
| logSw: | -4.0764 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.004 |
| InChI Key: | YRKZBBKPLXOJLJ-UHFFFAOYSA-N |