1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-(3,4-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-(3,4-dimethoxyphenyl)ethan-1-one
1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-(3,4-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | K407-0168 |
| Compound Name: | 1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-(3,4-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 522.55 |
| Molecular Formula: | C28 H30 N2 O8 |
| Smiles: | COc1ccc(CC(N2CCc3cc(c(cc3C2COc2ccc(cc2)[N+]([O-])=O)OC)OC)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7998 |
| logD: | 3.7998 |
| logSw: | -4.0077 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.688 |
| InChI Key: | ZGCCYZWLQOCUNW-QHCPKHFHSA-N |