methyl 4-[7-(2-chlorophenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[7-(2-chlorophenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl]benzoate
methyl 4-[7-(2-chlorophenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl]benzoate
Compound characteristics
| Compound ID: | C276-1474 |
| Compound Name: | methyl 4-[7-(2-chlorophenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl]benzoate |
| Molecular Weight: | 409.87 |
| Molecular Formula: | C23 H20 Cl N O4 |
| Smiles: | COC(c1ccc(cc1)C1CC(NC2CC(CC(C1=2)=O)c1ccccc1[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1207 |
| logD: | 2.8574 |
| logSw: | -4.499 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.909 |
| InChI Key: | XCUAMRSWBNLVNZ-UHFFFAOYSA-N |