3-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzonitrile
Chemical Structure Depiction of
3-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzonitrile
3-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzonitrile
Compound characteristics
| Compound ID: | D145-0460 |
| Compound Name: | 3-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzonitrile |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C25 H22 N2 O4 |
| Smiles: | COc1ccc(cc1)C1c2cc(c(cc2CC(N1c1cccc(C#N)c1)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6533 |
| logD: | 3.6533 |
| logSw: | -3.9636 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.178 |
| InChI Key: | OINSQNUOORYWJC-VWLOTQADSA-N |