AC1NEXP3
[6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(3-nitrophenyl)methanone
Also Known As: Oprea1_870913|F0535-0382|(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3-nitrophenyl)methanone|[6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(3-nitrophenyl)methanone|6,7-dimethoxy-2-(3-nitrobenzoyl)-1-{[4-(propan-2-yl)phenoxy]methyl}-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C28H30N2O6 |
|---|---|
| Molecular Weight | 490.2104 g/mol |
| LogP | 5.554 |
| Topological Polar Surface Area | 91.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.2104 |
| Monoisotopic Mass | 490.2104 |
| Heavy Atoms | 36 |
| Complexity | 1255.3948 |
Chemical Identifiers
| CAS Number | 680604-98-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC)OC |
Product Overview
AC1NEXP3 (CAS 680604-98-2), with molecular formula C28H30N2O6 and molecular weight 490.2104 g/mol. IUPAC: [6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(3-nitrophenyl)methanone.
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