1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]-2-(4-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]-2-(4-methylphenoxy)ethan-1-one
1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]-2-(4-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | 5702-3920 |
| Compound Name: | 1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]-2-(4-methylphenoxy)ethan-1-one |
| Molecular Weight: | 352.45 |
| Molecular Formula: | C20 H20 N2 O2 S |
| Smiles: | Cc1ccc(cc1)OCC(n1c(C)c(c(C)n1)Sc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6362 |
| logD: | 3.6362 |
| logSw: | -3.8136 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.552 |
| InChI Key: | BEPDVFMIIHMDBF-UHFFFAOYSA-N |