1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl phenylacetate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl phenylacetate
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl phenylacetate
Compound characteristics
| Compound ID: | C100-0761 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl phenylacetate |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C23 H26 N2 O2 S |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(c1OC(Cc1ccccc1)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.3626 |
| logD: | 5.3626 |
| logSw: | -5.3553 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.651 |
| InChI Key: | ZHCHOORFZDYFPL-UHFFFAOYSA-N |