{1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}(4-nitrophenyl)methanone
Chemical Structure Depiction of
{1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}(4-nitrophenyl)methanone
{1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | K407-0548 |
| Compound Name: | {1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}(4-nitrophenyl)methanone |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C27 H28 N2 O6 |
| Smiles: | CCc1ccc(cc1)OCC1c2cc(c(cc2CCN1C(c1ccc(cc1)[N+]([O-])=O)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0294 |
| logD: | 5.0294 |
| logSw: | -4.6404 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.955 |
| InChI Key: | DYMXLOXRXCQKJG-DEOSSOPVSA-N |