4-(4-hydroxy-3-methoxyphenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(4-hydroxy-3-methoxyphenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(4-hydroxy-3-methoxyphenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-4056 |
| Compound Name: | 4-(4-hydroxy-3-methoxyphenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C18 H18 N2 O3 S |
| Smiles: | COc1cc(ccc1O)C1C(C#N)=C(NC2CCCC(C1=2)=O)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3245 |
| logD: | -0.8759 |
| logSw: | -2.8657 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.848 |
| InChI Key: | GNFSYWLSJRQLFR-INIZCTEOSA-N |