2-{[(4-ethyl-6-phenoxypyrimidin-2-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[(4-ethyl-6-phenoxypyrimidin-2-yl)sulfanyl]methyl}benzonitrile
2-{[(4-ethyl-6-phenoxypyrimidin-2-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V021-9844 |
| Compound Name: | 2-{[(4-ethyl-6-phenoxypyrimidin-2-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 347.44 |
| Molecular Formula: | C20 H17 N3 O S |
| Smiles: | CCc1cc(nc(n1)SCc1ccccc1C#N)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.187 |
| logD: | 5.187 |
| logSw: | -5.149 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.46 |
| InChI Key: | MJOVRFIEFOSIFJ-UHFFFAOYSA-N |