4-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
Chemical Structure Depiction of
4-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
4-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
Compound characteristics
| Compound ID: | D081-0046 |
| Compound Name: | 4-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid |
| Molecular Weight: | 433.46 |
| Molecular Formula: | C25 H23 N O6 |
| Smiles: | COc1ccc(cc1)C1c2cc(c(cc2CC(N1c1ccc(cc1)C(O)=O)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8121 |
| logD: | 1.4168 |
| logSw: | -4.0556 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.53 |
| InChI Key: | SVSLGDPKEWSYGI-DEOSSOPVSA-N |