3-[6,7-diethoxy-3-oxo-1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
Chemical Structure Depiction of
3-[6,7-diethoxy-3-oxo-1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
3-[6,7-diethoxy-3-oxo-1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
Compound characteristics
| Compound ID: | D145-2198 |
| Compound Name: | 3-[6,7-diethoxy-3-oxo-1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid |
| Molecular Weight: | 521.57 |
| Molecular Formula: | C29 H31 N O8 |
| Smiles: | CCOc1cc2CC(N(C(c3cc(c(c(c3)OC)OC)OC)c2cc1OCC)c1cccc(c1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.955 |
| logD: | 1.2698 |
| logSw: | -4.0503 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.124 |
| InChI Key: | ZVAYKZVJDSGSKE-MHZLTWQESA-N |