4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}butanamide
Chemical Structure Depiction of
4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}butanamide
4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}butanamide
Compound characteristics
| Compound ID: | C071-0573 |
| Compound Name: | 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}butanamide |
| Molecular Weight: | 603.62 |
| Molecular Formula: | C28 H28 F3 N5 O5 S |
| Smiles: | Cc1ccccc1Cn1ccc(NC(CCCS(c2nc(cc(C(F)(F)F)n2)c2ccc(c(c2)OC)OC)(=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2342 |
| logD: | 4.2259 |
| logSw: | -4.3195 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.218 |
| InChI Key: | UVKFQSDSDRSUQH-UHFFFAOYSA-N |