1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl cyclopentanecarboxylate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl cyclopentanecarboxylate
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl cyclopentanecarboxylate
Compound characteristics
| Compound ID: | C100-0729 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl cyclopentanecarboxylate |
| Molecular Weight: | 372.53 |
| Molecular Formula: | C21 H28 N2 O2 S |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(c1OC(C1CCCC1)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.3646 |
| logD: | 5.3646 |
| logSw: | -5.2237 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.804 |
| InChI Key: | SFJXIZPZHGOHQB-UHFFFAOYSA-N |