4-(3-ethoxy-4-hydroxyphenyl)-2-{[(naphthalen-1-yl)methyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-(3-ethoxy-4-hydroxyphenyl)-2-{[(naphthalen-1-yl)methyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-(3-ethoxy-4-hydroxyphenyl)-2-{[(naphthalen-1-yl)methyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3448-4287 |
| Compound Name: | 4-(3-ethoxy-4-hydroxyphenyl)-2-{[(naphthalen-1-yl)methyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C25 H22 N2 O3 S |
| Smiles: | CCOc1cc(ccc1O)C1CC(NC(=C1C#N)SCc1cccc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5366 |
| logD: | 4.5055 |
| logSw: | -4.4877 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.402 |
| InChI Key: | RRZZYXVLKBWMIZ-HXUWFJFHSA-N |