{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(2-methylphenyl)methanone
Chemical Structure Depiction of
{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(2-methylphenyl)methanone
{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(2-methylphenyl)methanone
Compound characteristics
| Compound ID: | K407-0345 |
| Compound Name: | {6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(2-methylphenyl)methanone |
| Molecular Weight: | 462.5 |
| Molecular Formula: | C26 H26 N2 O6 |
| Smiles: | Cc1ccccc1C(N1CCc2cc(c(cc2C1COc1ccc(cc1)[N+]([O-])=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4028 |
| logD: | 4.4028 |
| logSw: | -4.3706 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.955 |
| InChI Key: | HSBOHYXQYPQENB-QHCPKHFHSA-N |