N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
Compound characteristics
| Compound ID: | C071-0455 |
| Compound Name: | N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide |
| Molecular Weight: | 608.04 |
| Molecular Formula: | C27 H25 Cl F3 N5 O4 S |
| Smiles: | Cc1cc(NC(CCCS(c2nc(cc(C(F)(F)F)n2)c2ccccc2OC)(=O)=O)=O)nn1Cc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3345 |
| logD: | 4.2447 |
| logSw: | -4.6068 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.128 |
| InChI Key: | MJKAQDOWFOLFMD-UHFFFAOYSA-N |