1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl cyclopropanecarboxylate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl cyclopropanecarboxylate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl cyclopropanecarboxylate
Compound characteristics
Compound ID: | C263-0110 |
Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl cyclopropanecarboxylate |
Molecular Weight: | 376.47 |
Molecular Formula: | C19 H24 N2 O4 S |
Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c1OC(C1CC1)=O)C(C)(C)C)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3117 |
logD: | 3.3117 |
logSw: | -3.7109 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 65.541 |
InChI Key: | POVAYAVFGVXDIL-UHFFFAOYSA-N |