3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
Chemical Structure Depiction of
3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
Compound characteristics
| Compound ID: | C100-0299 |
| Compound Name: | 3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C22 H24 N2 O2 S |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(c2ccccc2)c1OC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7456 |
| logD: | 5.7456 |
| logSw: | -5.5883 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.55 |
| InChI Key: | XQRXWYLNAXGOQC-UHFFFAOYSA-N |