1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate
Compound characteristics
| Compound ID: | C263-0153 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate |
| Molecular Weight: | 544.67 |
| Molecular Formula: | C28 H36 N2 O7 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(=O)Oc1c(c(C)nn1C(C)(C)C)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4675 |
| logD: | 4.4675 |
| logSw: | -4.3347 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.735 |
| InChI Key: | GWVKELZUYVYOLQ-UHFFFAOYSA-N |