2-(hexylsulfanyl)-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(hexylsulfanyl)-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(hexylsulfanyl)-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
Compound ID: | 8011-0392 |
Compound Name: | 2-(hexylsulfanyl)-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
Molecular Weight: | 330.45 |
Molecular Formula: | C18 H22 N2 O2 S |
Smiles: | CCCCCCSC1=C(C#N)C(CC(N1)=O)c1ccc(cc1)O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0244 |
logD: | 3.9671 |
logSw: | -3.8699 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.804 |
InChI Key: | HYBLKCYMQMUZPK-OAHLLOKOSA-N |