1-{4-[(2-{[(3,5-difluorophenyl)methyl]sulfanyl}-6-ethylpyrimidin-4-yl)oxy]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[(2-{[(3,5-difluorophenyl)methyl]sulfanyl}-6-ethylpyrimidin-4-yl)oxy]phenyl}ethan-1-one
1-{4-[(2-{[(3,5-difluorophenyl)methyl]sulfanyl}-6-ethylpyrimidin-4-yl)oxy]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | V003-0292 |
| Compound Name: | 1-{4-[(2-{[(3,5-difluorophenyl)methyl]sulfanyl}-6-ethylpyrimidin-4-yl)oxy]phenyl}ethan-1-one |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C21 H18 F2 N2 O2 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cc(cc(c1)F)F)Oc1ccc(cc1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3629 |
| logD: | 5.3629 |
| logSw: | -5.3668 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.23 |
| InChI Key: | KVBXRDXIIFPFSJ-UHFFFAOYSA-N |