2-(hexylsulfanyl)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(hexylsulfanyl)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(hexylsulfanyl)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3331-3806 |
| Compound Name: | 2-(hexylsulfanyl)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 314.45 |
| Molecular Formula: | C18 H22 N2 O S |
| Smiles: | CCCCCCSC1=C(C#N)C(CC(N1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6485 |
| logD: | 4.5911 |
| logSw: | -4.3695 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.187 |
| InChI Key: | IUMRBMNVLDIGOM-OAHLLOKOSA-N |