4-[3-(benzyloxy)-4-methoxyphenyl]-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-[3-(benzyloxy)-4-methoxyphenyl]-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-[3-(benzyloxy)-4-methoxyphenyl]-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 2188-1792 |
| Compound Name: | 4-[3-(benzyloxy)-4-methoxyphenyl]-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 380.46 |
| Molecular Formula: | C21 H20 N2 O3 S |
| Smiles: | COc1ccc(cc1OCc1ccccc1)C1CC(NC(=C1C#N)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0592 |
| logD: | 2.9145 |
| logSw: | -3.4679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.132 |
| InChI Key: | WUOKRNBOAGEYHL-MRXNPFEDSA-N |