3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}propanamide
Chemical Structure Depiction of
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}propanamide
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}propanamide
Compound characteristics
| Compound ID: | C071-0346 |
| Compound Name: | 3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}propanamide |
| Molecular Weight: | 605.57 |
| Molecular Formula: | C27 H23 F4 N5 O5 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)F)n1)NC(CCS(c1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5563 |
| logD: | 3.5562 |
| logSw: | -3.9443 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.004 |
| InChI Key: | ITXKFTSAQZVCIK-UHFFFAOYSA-N |