3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(1-benzyl-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-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanamide
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanamide
Compound characteristics
| Compound ID: | C071-0342 |
| Compound Name: | 3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanamide |
| Molecular Weight: | 587.58 |
| Molecular Formula: | C27 H24 F3 N5 O5 S |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2)n1)NC(CCS(c1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5272 |
| logD: | 3.5272 |
| logSw: | -3.9704 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.004 |
| InChI Key: | JZRQZDPELCWWPN-UHFFFAOYSA-N |