4-[4-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-[4-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-[4-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 1781-2018 |
| Compound Name: | 4-[4-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C24 H22 N2 O2 |
| Smiles: | CC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(cc1)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0479 |
| logD: | 1.5376 |
| logSw: | -4.3295 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.205 |
| InChI Key: | DLXXBODKVIQQSQ-HSZRJFAPSA-N |