1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 3-methylbutanoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 3-methylbutanoate
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 3-methylbutanoate
Compound characteristics
| Compound ID: | C100-0740 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 3-methylbutanoate |
| Molecular Weight: | 360.52 |
| Molecular Formula: | C20 H28 N2 O2 S |
| Smiles: | CC(C)CC(=O)Oc1c(c(C)nn1C(C)(C)C)Sc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1444 |
| logD: | 5.1444 |
| logSw: | -4.9405 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.922 |
| InChI Key: | FGBDDWFSIXUIJC-UHFFFAOYSA-N |