2-(2,4-dimethylphenoxy)-1-[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(2,4-dimethylphenoxy)-1-[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]ethan-1-one
2-(2,4-dimethylphenoxy)-1-[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | G680-0457 |
| Compound Name: | 2-(2,4-dimethylphenoxy)-1-[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C20 H27 N3 O4 S |
| Smiles: | Cc1ccc(c(C)c1)OCC(n1c(C)c(c(C)n1)S(N1CCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5037 |
| logD: | 2.5037 |
| logSw: | -2.7055 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.622 |
| InChI Key: | XJFDQMDHJWILPV-UHFFFAOYSA-N |