3-methyl-4-{[1,3,3,3-tetrafluoro-2-(methoxycarbonyl)prop-1-en-1-yl]sulfanyl}phenyl benzoate
Chemical Structure Depiction of
3-methyl-4-{[1,3,3,3-tetrafluoro-2-(methoxycarbonyl)prop-1-en-1-yl]sulfanyl}phenyl benzoate
3-methyl-4-{[1,3,3,3-tetrafluoro-2-(methoxycarbonyl)prop-1-en-1-yl]sulfanyl}phenyl benzoate
Compound characteristics
| Compound ID: | 4157-4396 |
| Compound Name: | 3-methyl-4-{[1,3,3,3-tetrafluoro-2-(methoxycarbonyl)prop-1-en-1-yl]sulfanyl}phenyl benzoate |
| Molecular Weight: | 414.37 |
| Molecular Formula: | C19 H14 F4 O4 S |
| Smiles: | Cc1cc(ccc1SC(=C(/C(=O)OC)C(F)(F)F)\F)OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.339 |
| logD: | 5.339 |
| logSw: | -5.4998 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 41.79 |
| InChI Key: | DVPPRUYHTYYJMH-UHFFFAOYSA-N |