4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl (4-chlorophenoxy)acetate
Chemical Structure Depiction of
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl (4-chlorophenoxy)acetate
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl (4-chlorophenoxy)acetate
Compound characteristics
| Compound ID: | C263-0036 |
| Compound Name: | 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl (4-chlorophenoxy)acetate |
| Molecular Weight: | 462.95 |
| Molecular Formula: | C22 H23 Cl N2 O5 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(COc1ccc(cc1)[Cl])=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7109 |
| logD: | 3.7109 |
| logSw: | -4.3936 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.922 |
| InChI Key: | KQABLTHWYCIZIO-UHFFFAOYSA-N |