3-methyl-4-[(pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
3-methyl-4-[(pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl acetate
3-methyl-4-[(pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | C100-0386 |
| Compound Name: | 3-methyl-4-[(pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 414.35 |
| Molecular Formula: | C18 H11 F5 N2 O2 S |
| Smiles: | CC(=O)Oc1c(c(C)nn1c1ccccc1)Sc1c(c(c(c(c1F)F)F)F)F |
| Stereo: | ACHIRAL |
| logP: | 4.1541 |
| logD: | 4.1541 |
| logSw: | -4.3179 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.652 |
| InChI Key: | XPJYQLFIZHYNMF-UHFFFAOYSA-N |