1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl benzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl benzoate
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl benzoate
Compound characteristics
| Compound ID: | C100-0767 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl benzoate |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C22 H24 N2 O2 S |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(c1OC(c1ccccc1)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.2089 |
| logD: | 5.2089 |
| logSw: | -5.2236 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.245 |
| InChI Key: | FLKZJRVVCWJNHA-UHFFFAOYSA-N |