3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl phenoxyacetate
Chemical Structure Depiction of
3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl phenoxyacetate
3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl phenoxyacetate
Compound characteristics
| Compound ID: | C100-0307 |
| Compound Name: | 3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl phenoxyacetate |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C25 H22 N2 O3 S |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(c2ccccc2)c1OC(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3637 |
| logD: | 5.3637 |
| logSw: | -5.345 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.183 |
| InChI Key: | YANFVQJTWNCUQJ-UHFFFAOYSA-N |