4-(3-cyano-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinolin-4-yl)-2-ethoxyphenyl acetate
Chemical Structure Depiction of
4-(3-cyano-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinolin-4-yl)-2-ethoxyphenyl acetate
4-(3-cyano-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinolin-4-yl)-2-ethoxyphenyl acetate
Compound characteristics
| Compound ID: | 2525-3980 |
| Compound Name: | 4-(3-cyano-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinolin-4-yl)-2-ethoxyphenyl acetate |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C27 H26 N2 O4 |
| Smiles: | CCOc1cc(ccc1OC(C)=O)C1C(C#N)=C(C)NC2CC(CC(C1=2)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1542 |
| logD: | 1.0603 |
| logSw: | -4.309 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.754 |
| InChI Key: | MFJRZILBSNBMMG-UHFFFAOYSA-N |