1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2,2-dimethylpropanoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2,2-dimethylpropanoate
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2,2-dimethylpropanoate
Compound characteristics
Compound ID: | C100-0481 |
Compound Name: | 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2,2-dimethylpropanoate |
Molecular Weight: | 346.49 |
Molecular Formula: | C19 H26 N2 O2 S |
Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(C(C)(C)C)=O)Sc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.7062 |
logD: | 4.7062 |
logSw: | -4.5433 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 35.517 |
InChI Key: | IOZGCEIPGLDRBW-UHFFFAOYSA-N |