(3,4-diethoxyphenyl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Chemical Structure Depiction of
(3,4-diethoxyphenyl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
(3,4-diethoxyphenyl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Compound characteristics
| Compound ID: | K407-0393 |
| Compound Name: | (3,4-diethoxyphenyl){6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}methanone |
| Molecular Weight: | 536.58 |
| Molecular Formula: | C29 H32 N2 O8 |
| Smiles: | CCOc1ccc(cc1OCC)C(N1CCc2cc(c(cc2C1COc1ccc(cc1)[N+]([O-])=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1301 |
| logD: | 4.1301 |
| logSw: | -4.2262 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.376 |
| InChI Key: | DUCIRFIRMUSLDR-DEOSSOPVSA-N |