1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl phenoxyacetate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl phenoxyacetate
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl phenoxyacetate
Compound characteristics
| Compound ID: | C100-0762 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl phenoxyacetate |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C23 H26 N2 O3 S |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(c1OC(COc1ccccc1)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.9327 |
| logD: | 4.9327 |
| logSw: | -4.6559 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.15 |
| InChI Key: | VRGRBHIWIFHAKE-UHFFFAOYSA-N |