4-[3-cyano-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl]-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-[3-cyano-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl]-2-methoxyphenyl acetate
4-[3-cyano-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl]-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 2648-4231 |
| Compound Name: | 4-[3-cyano-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl]-2-methoxyphenyl acetate |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C27 H26 N2 O5 |
| Smiles: | CC1=C(C#N)C(C2=C(CC(CC2=O)c2ccc(cc2)OC)N1)c1ccc(c(c1)OC)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9866 |
| logD: | 0.8927 |
| logSw: | -4.2569 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.718 |
| InChI Key: | UKXASZBGQKSDQM-UHFFFAOYSA-N |