4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3,4-dimethoxybenzoate
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | C263-0073 |
| Compound Name: | 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3,4-dimethoxybenzoate |
| Molecular Weight: | 458.53 |
| Molecular Formula: | C23 H26 N2 O6 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1ccc(c(c1)OC)OC)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9729 |
| logD: | 2.9729 |
| logSw: | -3.4036 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.279 |
| InChI Key: | XPUWHQLZTAZKPE-UHFFFAOYSA-N |