3-({[4-(2,4-difluorophenoxy)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-(2,4-difluorophenoxy)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
3-({[4-(2,4-difluorophenoxy)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V026-9452 |
| Compound Name: | 3-({[4-(2,4-difluorophenoxy)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 431.46 |
| Molecular Formula: | C24 H15 F2 N3 O S |
| Salt: | not_available |
| Smiles: | C(c1cccc(C#N)c1)Sc1nc(cc(n1)Oc1ccc(cc1F)F)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3272 |
| logD: | 6.3272 |
| logSw: | -6.2991 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.78 |
| InChI Key: | NXHVZHJHDDMRER-UHFFFAOYSA-N |