4-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
Chemical Structure Depiction of
4-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
4-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
Compound characteristics
| Compound ID: | D081-0053 |
| Compound Name: | 4-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid |
| Molecular Weight: | 463.49 |
| Molecular Formula: | C26 H25 N O7 |
| Smiles: | COc1ccc(cc1OC)C1c2cc(c(cc2CC(N1c1ccc(cc1)C(O)=O)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4923 |
| logD: | 1.0971 |
| logSw: | -3.4711 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.247 |
| InChI Key: | KKQNMSLPGGTGLH-VWLOTQADSA-N |