4-[6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
Chemical Structure Depiction of
4-[6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
4-[6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
Compound characteristics
| Compound ID: | D081-0007 |
| Compound Name: | 4-[6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid |
| Molecular Weight: | 461.51 |
| Molecular Formula: | C27 H27 N O6 |
| Smiles: | CCOc1cc2CC(N(C(c3ccc(cc3)OC)c2cc1OCC)c1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1033 |
| logD: | 1.7081 |
| logSw: | -4.188 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.69 |
| InChI Key: | DDUXLSHPLFYPDL-SANMLTNESA-N |