4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl (2,4-dichlorophenoxy)acetate
Chemical Structure Depiction of
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl (2,4-dichlorophenoxy)acetate
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl (2,4-dichlorophenoxy)acetate
Compound characteristics
| Compound ID: | C263-0037 |
| Compound Name: | 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl (2,4-dichlorophenoxy)acetate |
| Molecular Weight: | 497.4 |
| Molecular Formula: | C22 H22 Cl2 N2 O5 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(COc1ccc(cc1[Cl])[Cl])=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1236 |
| logD: | 4.1236 |
| logSw: | -4.486 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.009 |
| InChI Key: | VKBDTRMSCBAAGE-UHFFFAOYSA-N |