4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
Chemical Structure Depiction of
4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
Compound characteristics
| Compound ID: | 5590-0131 |
| Compound Name: | 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid |
| Molecular Weight: | 519.6 |
| Molecular Formula: | C30 H33 N O7 |
| Smiles: | CCOc1ccc(cc1OCC)C1c2cc(c(cc2CC(N1c1ccc(cc1)C(O)=O)=O)OCC)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2748 |
| logD: | 1.8796 |
| logSw: | -4.2252 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.566 |
| InChI Key: | BKWBUUYCHYLRLF-LJAQVGFWSA-N |