4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 2398-3399 |
| Compound Name: | 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-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)c2ccccc2)N1)c1ccc(c(c1)OC)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.636 |
| logD: | 2.5421 |
| logSw: | -5.4997 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.651 |
| InChI Key: | KNNLQPINRLAXSB-UHFFFAOYSA-N |