6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,4-dihydroisoquinolin-3(2H)-one
Chemical Structure Depiction of
6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,4-dihydroisoquinolin-3(2H)-one
6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,4-dihydroisoquinolin-3(2H)-one
Compound characteristics
| Compound ID: | D081-0044 |
| Compound Name: | 6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,4-dihydroisoquinolin-3(2H)-one |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C24 H22 N2 O6 |
| Smiles: | COc1ccc(cc1)C1c2cc(c(cc2CC(N1c1ccccc1[N+]([O-])=O)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8707 |
| logD: | 3.8707 |
| logSw: | -4.1434 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.902 |
| InChI Key: | GPTXBXILAWFPGJ-DEOSSOPVSA-N |