1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl (4-chlorophenoxy)acetate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl (4-chlorophenoxy)acetate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl (4-chlorophenoxy)acetate
Compound characteristics
| Compound ID: | C263-0117 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl (4-chlorophenoxy)acetate |
| Molecular Weight: | 476.98 |
| Molecular Formula: | C23 H25 Cl N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c1OC(COc1ccc(cc1)[Cl])=O)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3193 |
| logD: | 4.3193 |
| logSw: | -4.6282 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.922 |
| InChI Key: | FHHOLNPBELDMGB-UHFFFAOYSA-N |