4-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-5530 |
| Compound Name: | 4-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C24 H22 N2 O2 S |
| Smiles: | CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(cc1)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5009 |
| logD: | 1.3004 |
| logSw: | -4.621 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.897 |
| InChI Key: | HWSPTOSZKPYTBP-QFIPXVFZSA-N |