4-(2-ethoxyphenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(2-ethoxyphenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(2-ethoxyphenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
Compound ID: | 4552-5935 |
Compound Name: | 4-(2-ethoxyphenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
Molecular Weight: | 340.44 |
Molecular Formula: | C19 H20 N2 O2 S |
Smiles: | CCOc1ccccc1C1C(C#N)=C(NC2CCCC(C1=2)=O)SC |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7043 |
logD: | 0.5039 |
logSw: | -3.9783 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.879 |
InChI Key: | VPDDCSCDMFWPHP-KRWDZBQOSA-N |