N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
Compound characteristics
| Compound ID: | C071-0460 |
| Compound Name: | N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide |
| Molecular Weight: | 622.07 |
| Molecular Formula: | C28 H27 Cl F3 N5 O4 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)[Cl])n1)NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1ccccc1OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8362 |
| logD: | 3.8355 |
| logSw: | -4.4626 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.518 |
| InChI Key: | MASDLLYZWFSTAL-UHFFFAOYSA-N |