4-[3-(benzyloxy)-4-methoxyphenyl]-2-(benzylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-[3-(benzyloxy)-4-methoxyphenyl]-2-(benzylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-[3-(benzyloxy)-4-methoxyphenyl]-2-(benzylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 2188-1796 |
| Compound Name: | 4-[3-(benzyloxy)-4-methoxyphenyl]-2-(benzylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C27 H24 N2 O3 S |
| Smiles: | COc1ccc(cc1OCc1ccccc1)C1CC(NC(=C1C#N)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.268 |
| logD: | 4.234 |
| logSw: | -4.5544 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.86 |
| InChI Key: | BTQHAEFWHMOQMV-JOCHJYFZSA-N |