1-tert-butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl propanoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl propanoate
1-tert-butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl propanoate
Compound characteristics
| Compound ID: | C100-0842 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl propanoate |
| Molecular Weight: | 408.39 |
| Molecular Formula: | C17 H17 F5 N2 O2 S |
| Smiles: | CCC(=O)Oc1c(c(C)nn1C(C)(C)C)Sc1c(c(c(c(c1F)F)F)F)F |
| Stereo: | ACHIRAL |
| logP: | 4.2483 |
| logD: | 4.2483 |
| logSw: | -4.1037 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.922 |
| InChI Key: | MPBSKRDFEXFZSG-UHFFFAOYSA-N |