3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl butanoate
Chemical Structure Depiction of
3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl butanoate
3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl butanoate
Compound characteristics
| Compound ID: | C100-0300 |
| Compound Name: | 3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl butanoate |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C21 H22 N2 O2 S |
| Smiles: | CCCC(=O)Oc1c(c(C)nn1c1ccccc1)Sc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2698 |
| logD: | 5.2698 |
| logSw: | -5.1876 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.955 |
| InChI Key: | AFKPJIFZOVOIQU-UHFFFAOYSA-N |