3-methyl-4-[(pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methylpropanoate
Chemical Structure Depiction of
3-methyl-4-[(pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methylpropanoate
3-methyl-4-[(pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methylpropanoate
Compound characteristics
| Compound ID: | C100-0388 |
| Compound Name: | 3-methyl-4-[(pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methylpropanoate |
| Molecular Weight: | 442.41 |
| Molecular Formula: | C20 H15 F5 N2 O2 S |
| Smiles: | CC(C)C(=O)Oc1c(c(C)nn1c1ccccc1)Sc1c(c(c(c(c1F)F)F)F)F |
| Stereo: | ACHIRAL |
| logP: | 5.1991 |
| logD: | 5.1991 |
| logSw: | -5.1048 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.55 |
| InChI Key: | PBFJRUHENDDSLB-UHFFFAOYSA-N |