4-[4-(benzyloxy)-3-methoxyphenyl]-2-{[(naphthalen-1-yl)methyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-[4-(benzyloxy)-3-methoxyphenyl]-2-{[(naphthalen-1-yl)methyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-[4-(benzyloxy)-3-methoxyphenyl]-2-{[(naphthalen-1-yl)methyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8010-4472 |
| Compound Name: | 4-[4-(benzyloxy)-3-methoxyphenyl]-2-{[(naphthalen-1-yl)methyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C31 H26 N2 O3 S |
| Smiles: | COc1cc(ccc1OCc1ccccc1)C1CC(NC(=C1C#N)SCc1cccc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9756 |
| logD: | 5.9446 |
| logSw: | -6.7348 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.589 |
| InChI Key: | PLSOBVGSVZXNCD-AREMUKBSSA-N |