1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl cyclopentanecarboxylate
Chemical Structure Depiction of
1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl cyclopentanecarboxylate
1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl cyclopentanecarboxylate
Compound characteristics
| Compound ID: | C100-0638 |
| Compound Name: | 1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl cyclopentanecarboxylate |
| Molecular Weight: | 392.95 |
| Molecular Formula: | C20 H25 Cl N2 O2 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(C1CCCC1)=O)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.536 |
| logD: | 5.536 |
| logSw: | -5.8616 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.804 |
| InChI Key: | IIKMCANGDQIBKK-UHFFFAOYSA-N |