N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
Chemical Structure Depiction of
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
Compound characteristics
| Compound ID: | C071-0459 |
| Compound Name: | N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide |
| Molecular Weight: | 587.62 |
| Molecular Formula: | C28 H28 F3 N5 O4 S |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2)n1)NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1ccccc1OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2415 |
| logD: | 3.2408 |
| logSw: | -3.7148 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.518 |
| InChI Key: | XYFCZZTVWNPGHE-UHFFFAOYSA-N |