4-[4-(benzyloxy)phenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-[4-(benzyloxy)phenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-[4-(benzyloxy)phenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 2648-4234 |
| Compound Name: | 4-[4-(benzyloxy)phenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 476.58 |
| Molecular Formula: | C31 H28 N2 O3 |
| Smiles: | CC1=C(C#N)C(C2=C(CC(CC2=O)c2ccc(cc2)OC)N1)c1ccc(cc1)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8326 |
| logD: | 2.7388 |
| logSw: | -5.622 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.477 |
| InChI Key: | BULQSZFUUNIHEJ-UHFFFAOYSA-N |