4-(4-ethoxyphenyl)-2-(hexylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-(4-ethoxyphenyl)-2-(hexylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-(4-ethoxyphenyl)-2-(hexylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-1460 |
| Compound Name: | 4-(4-ethoxyphenyl)-2-(hexylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 358.5 |
| Molecular Formula: | C20 H26 N2 O2 S |
| Smiles: | CCCCCCSC1=C(C#N)C(CC(N1)=O)c1ccc(cc1)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0132 |
| logD: | 4.9558 |
| logSw: | -4.4359 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.311 |
| InChI Key: | DTOIXDIBAFFVKF-QGZVFWFLSA-N |