AC1N0JA5
4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]sulfonylmorpholine
Also Known As: 4-((4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl)sulfonyl)morpholine|4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]sulfonylmorpholine|6,7-dimethoxy-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinoline|6,7-dimethoxy-2-[4-(morpholin-4-ylsulfonyl)-2-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C21H25N3O7S |
|---|---|
| Molecular Weight | 463.14133 g/mol |
| LogP | 2.1956 |
| Topological Polar Surface Area | 111.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.14133 |
| Monoisotopic Mass | 463.14133 |
| Heavy Atoms | 32 |
| Complexity | 1130.4535 |
Chemical Identifiers
| CAS Number | 749918-35-2 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])OC |
Product Overview
AC1N0JA5 (CAS 749918-35-2), with molecular formula C21H25N3O7S and molecular weight 463.14133 g/mol. IUPAC: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]sulfonylmorpholine.
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