AC1MLTBW
[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
Also Known As: Oprea1_657147|F0535-0699|(6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(4-(piperidin-1-ylsulfonyl)phenyl)methanone|6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-[4-(piperidine-1-sulfonyl)benzoyl]-1,2,3,4-tetrahydroisoquinoline|[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
| Molecular Formula | C30H33N3O8S |
|---|---|
| Molecular Weight | 595.19885 g/mol |
| LogP | 4.6052 |
| Topological Polar Surface Area | 128.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 595.19885 |
| Monoisotopic Mass | 595.19885 |
| Heavy Atoms | 42 |
| Complexity | 1552.6134 |
Chemical Identifiers
| CAS Number | 449766-19-2 |
|---|---|
| SMILES | COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)COC5=CC=C(C=C5)[N+](=O)[O-])OC |
Product Overview
AC1MLTBW (CAS 449766-19-2), with molecular formula C30H33N3O8S and molecular weight 595.19885 g/mol. IUPAC: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone.
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