3-({[4-(4-acetylphenoxy)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-(4-acetylphenoxy)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
3-({[4-(4-acetylphenoxy)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V015-6528 |
| Compound Name: | 3-({[4-(4-acetylphenoxy)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C22 H19 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(C#N)c1)Oc1ccc(cc1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5297 |
| logD: | 4.5297 |
| logSw: | -4.4732 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.286 |
| InChI Key: | QITRZRKNHDJNTL-UHFFFAOYSA-N |