1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 3-methylbutanoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 3-methylbutanoate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 3-methylbutanoate
Compound characteristics
| Compound ID: | C263-0094 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 3-methylbutanoate |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C20 H28 N2 O4 S |
| Smiles: | CC(C)CC(=O)Oc1c(c(C)nn1C(C)(C)C)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9078 |
| logD: | 3.9078 |
| logSw: | -4.0396 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.694 |
| InChI Key: | KGEMKXDOJHIBSV-UHFFFAOYSA-N |