AC1N6RHO
[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4,5-triethoxyphenyl)methanone
Also Known As: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline|SR-01000568938-1|F0535-0673|(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-dihydro-1H-isoquinolin-2-yl]-(3,4,5-triethoxyphenyl)methanone
| Molecular Formula | C31H36N2O9 |
|---|---|
| Molecular Weight | 580.24207 g/mol |
| LogP | 5.6267 |
| Topological Polar Surface Area | 118.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 580.24207 |
| Monoisotopic Mass | 580.24207 |
| Heavy Atoms | 42 |
| Complexity | 1381.2555 |
Chemical Identifiers
| CAS Number | 449765-99-5 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)[N+](=O)[O-])OC)OC |
Product Overview
AC1N6RHO (CAS 449765-99-5), with molecular formula C31H36N2O9 and molecular weight 580.24207 g/mol. IUPAC: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4,5-triethoxyphenyl)methanone.
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