1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C263-0091 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C23 H24 N2 O6 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c1OC(c1ccc2c(c1)OCO2)=O)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8795 |
| logD: | 3.8795 |
| logSw: | -4.0831 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.133 |
| InChI Key: | XJLWLNJNGHVBFZ-UHFFFAOYSA-N |