1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-ethylbutan-1-one
Chemical Structure Depiction of
1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-ethylbutan-1-one
1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-ethylbutan-1-one
Compound characteristics
| Compound ID: | K407-0261 |
| Compound Name: | 1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-ethylbutan-1-one |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C24 H30 N2 O6 |
| Smiles: | CCC(CC)C(N1CCc2cc(c(cc2C1COc1ccc(cc1)[N+]([O-])=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4262 |
| logD: | 4.4262 |
| logSw: | -4.2673 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.227 |
| InChI Key: | DICIEQTYJWFKGW-NRFANRHFSA-N |