benzyl 2-methyl-5-oxo-7-phenyl-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
benzyl 2-methyl-5-oxo-7-phenyl-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
benzyl 2-methyl-5-oxo-7-phenyl-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1921-2096 |
| Compound Name: | benzyl 2-methyl-5-oxo-7-phenyl-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 450.54 |
| Molecular Formula: | C29 H26 N2 O3 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccccc2)N1)c1ccncc1)C(=O)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9418 |
| logD: | 0.719 |
| logSw: | -4.7696 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.936 |
| InChI Key: | NVTQCWQVFWEODO-UHFFFAOYSA-N |