ethyl 4-[1-(4-chlorophenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[1-(4-chlorophenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
ethyl 4-[1-(4-chlorophenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Compound characteristics
| Compound ID: | D081-0025 |
| Compound Name: | ethyl 4-[1-(4-chlorophenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate |
| Molecular Weight: | 493.99 |
| Molecular Formula: | C28 H28 Cl N O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C(c2ccc(cc2)[Cl])c2cc(c(cc2CC1=O)OCC)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4688 |
| logD: | 5.4688 |
| logSw: | -6.1676 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.492 |
| InChI Key: | KLOSEVUUKBUPHG-MHZLTWQESA-N |