3-methyl-4-[(pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl propanoate
Chemical Structure Depiction of
3-methyl-4-[(pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl propanoate
3-methyl-4-[(pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl propanoate
Compound characteristics
Compound ID: | C100-0387 |
Compound Name: | 3-methyl-4-[(pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl propanoate |
Molecular Weight: | 428.38 |
Molecular Formula: | C19 H13 F5 N2 O2 S |
Smiles: | CCC(=O)Oc1c(c(C)nn1c1ccccc1)Sc1c(c(c(c(c1F)F)F)F)F |
Stereo: | ACHIRAL |
logP: | 4.6793 |
logD: | 4.6793 |
logSw: | -4.4525 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 33.955 |
InChI Key: | RZSGCGIHQDDIBI-UHFFFAOYSA-N |