4-[3-(benzyloxy)-4-methoxyphenyl]-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-[3-(benzyloxy)-4-methoxyphenyl]-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-[3-(benzyloxy)-4-methoxyphenyl]-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3448-4331 |
| Compound Name: | 4-[3-(benzyloxy)-4-methoxyphenyl]-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C22 H22 N2 O3 S |
| Smiles: | CCSC1=C(C#N)C(CC(N1)=O)c1ccc(c(c1)OCc1ccccc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5046 |
| logD: | 3.4472 |
| logSw: | -3.8634 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.132 |
| InChI Key: | QWHDBCXTGACVIJ-QGZVFWFLSA-N |