N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
Compound characteristics
| Compound ID: | C071-0694 |
| Compound Name: | N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide |
| Molecular Weight: | 598.06 |
| Molecular Formula: | C25 H23 Cl F3 N5 O3 S2 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)[Cl])n1)NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1cccs1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9451 |
| logD: | 3.9443 |
| logSw: | -4.4114 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.906 |
| InChI Key: | RCWQCBVWJWOSCY-UHFFFAOYSA-N |