1-[4-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-2-(2-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[4-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-2-(2-methylphenyl)ethan-1-one
1-[4-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-2-(2-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | F897-0113 |
| Compound Name: | 1-[4-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-2-(2-methylphenyl)ethan-1-one |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C25 H30 N4 O3 S |
| Smiles: | Cc1ccccc1CC(N1CCN(CC1)S(c1c(C)nn(Cc2ccccc2)c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0238 |
| logD: | 3.0238 |
| logSw: | -3.1237 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.16 |
| InChI Key: | JVAUJFPJFIWUIX-UHFFFAOYSA-N |