2-({[4-(2,3-dimethylphenoxy)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[4-(2,3-dimethylphenoxy)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
2-({[4-(2,3-dimethylphenoxy)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V005-6816 |
| Compound Name: | 2-({[4-(2,3-dimethylphenoxy)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C22 H21 N3 O S |
| Smiles: | CCc1cc(nc(n1)SCc1ccccc1C#N)Oc1cccc(C)c1C |
| Stereo: | ACHIRAL |
| logP: | 6.1392 |
| logD: | 6.1392 |
| logSw: | -5.6799 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.546 |
| InChI Key: | SMDKKJBZRGHEHL-UHFFFAOYSA-N |