2-(butylsulfanyl)-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(butylsulfanyl)-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(butylsulfanyl)-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-4322 |
| Compound Name: | 2-(butylsulfanyl)-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 300.42 |
| Molecular Formula: | C17 H20 N2 O S |
| Smiles: | CCCCSC1=C(C#N)C(CC(N1)=O)c1ccccc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.971 |
| logD: | 3.9136 |
| logSw: | -3.901 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.187 |
| InChI Key: | AAFJMTJWSYZCLD-CQSZACIVSA-N |