{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(3,4,5-triethoxyphenyl)methanone
Chemical Structure Depiction of
{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(3,4,5-triethoxyphenyl)methanone
{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(3,4,5-triethoxyphenyl)methanone
Compound characteristics
| Compound ID: | K407-0423 |
| Compound Name: | {6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(3,4,5-triethoxyphenyl)methanone |
| Molecular Weight: | 580.64 |
| Molecular Formula: | C31 H36 N2 O9 |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(N1CCc2cc(c(cc2C1COc1ccc(cc1)[N+]([O-])=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7726 |
| logD: | 4.7726 |
| logSw: | -4.4689 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.672 |
| InChI Key: | BKZAUIPHARZIDI-VWLOTQADSA-N |