1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl phenoxyacetate
Chemical Structure Depiction of
1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl phenoxyacetate
1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl phenoxyacetate
Compound characteristics
| Compound ID: | C100-0671 |
| Compound Name: | 1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl phenoxyacetate |
| Molecular Weight: | 430.95 |
| Molecular Formula: | C22 H23 Cl N2 O3 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(COc1ccccc1)=O)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.104 |
| logD: | 5.104 |
| logSw: | -5.3731 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.15 |
| InChI Key: | IWMXMOXCANJKBH-UHFFFAOYSA-N |