4-[7-(4-chlorophenyl)-3-cyano-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl]-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-[7-(4-chlorophenyl)-3-cyano-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl]-2-methoxyphenyl acetate
4-[7-(4-chlorophenyl)-3-cyano-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl]-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 5991-0119 |
| Compound Name: | 4-[7-(4-chlorophenyl)-3-cyano-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl]-2-methoxyphenyl acetate |
| Molecular Weight: | 462.93 |
| Molecular Formula: | C26 H23 Cl N2 O4 |
| Smiles: | CC1=C(C#N)C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])N1)c1ccc(c(c1)OC)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.599 |
| logD: | 1.5051 |
| logSw: | -5.1393 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.174 |
| InChI Key: | BJJNTJLKTDPYNM-UHFFFAOYSA-N |