AC1N4IVW
[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-methyl-3-nitrophenyl)methanone
Also Known As: Oprea1_450780|F0535-0665|(6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-methyl-3-nitrophenyl)methanone|[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-methyl-3-nitrophenyl)methanone|6,7-dimethoxy-2-(2-methyl-3-nitrobenzoyl)-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C26H25N3O8 |
|---|---|
| Molecular Weight | 507.16415 g/mol |
| LogP | 4.64722 |
| Topological Polar Surface Area | 134.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 507.16415 |
| Monoisotopic Mass | 507.16415 |
| Heavy Atoms | 37 |
| Complexity | 1356.6729 |
Chemical Identifiers
| CAS Number | 449765-93-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)[N+](=O)[O-])OC)OC |
Product Overview
AC1N4IVW (CAS 449765-93-9), with molecular formula C26H25N3O8 and molecular weight 507.16415 g/mol. IUPAC: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-methyl-3-nitrophenyl)methanone.
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