methyl 1-{[(2,3,5,6-tetrafluorophenyl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-{[(2,3,5,6-tetrafluorophenyl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
methyl 1-{[(2,3,5,6-tetrafluorophenyl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y502-0745 |
| Compound Name: | methyl 1-{[(2,3,5,6-tetrafluorophenyl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 320.26 |
| Molecular Formula: | C12 H8 F4 N2 O2 S |
| Smiles: | COC(c1ccn(CSc2c(c(cc(c2F)F)F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6451 |
| logD: | 2.6451 |
| logSw: | -2.8721 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.929 |
| InChI Key: | KJLLAIMFZIXMJZ-UHFFFAOYSA-N |