{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}(4-nitrophenyl)methanone
Chemical Structure Depiction of
{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}(4-nitrophenyl)methanone
{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | K407-0526 |
| Compound Name: | {1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}(4-nitrophenyl)methanone |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C27 H28 N2 O6 |
| Smiles: | Cc1cc(C)cc(c1)OCC1c2cc(c(cc2CCN1C(c1ccc(cc1)[N+]([O-])=O)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9818 |
| logD: | 4.9818 |
| logSw: | -4.7008 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.955 |
| InChI Key: | SHSXKWHFEKXTDQ-DEOSSOPVSA-N |