AC1MXT8S
[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(5-nitrofuran-2-yl)methanone
Also Known As: (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone|[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl](5-nitrofuran-2-yl)methanone|[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(5-nitrofuran-2-yl)methanone
| Molecular Formula | C29H34N2O8 |
|---|---|
| Molecular Weight | 538.2315 g/mol |
| LogP | 5.7649 |
| Topological Polar Surface Area | 113.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 538.2315 |
| Monoisotopic Mass | 538.2315 |
| Heavy Atoms | 39 |
| Complexity | 1318.6116 |
Chemical Identifiers
| CAS Number | 672275-85-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)C4=CC=C(O4)[N+](=O)[O-])OCC)OCC)OCC |
Product Overview
AC1MXT8S (CAS 672275-85-3), with molecular formula C29H34N2O8 and molecular weight 538.2315 g/mol. IUPAC: [1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(5-nitrofuran-2-yl)methanone.
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