4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butanamide
Chemical Structure Depiction of
4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butanamide
4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butanamide
Compound characteristics
| Compound ID: | C071-0531 |
| Compound Name: | 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butanamide |
| Molecular Weight: | 619.62 |
| Molecular Formula: | C28 H28 F3 N5 O6 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1ccc(c(c1)OC)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1295 |
| logD: | 1.8173 |
| logSw: | -3.1298 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.644 |
| InChI Key: | CCOXELNCSYGMLF-UHFFFAOYSA-N |