1-tert-butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl cyclopentanecarboxylate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl cyclopentanecarboxylate
1-tert-butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl cyclopentanecarboxylate
Compound characteristics
| Compound ID: | C100-0820 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl cyclopentanecarboxylate |
| Molecular Weight: | 448.45 |
| Molecular Formula: | C20 H21 F5 N2 O2 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(C1CCCC1)=O)Sc1c(c(c(c(c1F)F)F)F)F |
| Stereo: | ACHIRAL |
| logP: | 5.2915 |
| logD: | 5.2915 |
| logSw: | -5.0703 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.804 |
| InChI Key: | JTBPLKLXXWHKNK-UHFFFAOYSA-N |