1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl methoxyacetate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl methoxyacetate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl methoxyacetate
Compound characteristics
| Compound ID: | C263-0097 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl methoxyacetate |
| Molecular Weight: | 380.46 |
| Molecular Formula: | C18 H24 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c1OC(COC)=O)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2395 |
| logD: | 2.2395 |
| logSw: | -2.6124 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.118 |
| InChI Key: | DHSXHVPKJJZAOW-UHFFFAOYSA-N |