RefChem:1087772
bis((E)-but-2-enedioic acid);7-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline
Also Known As: Isoquinoline, 3,4-dihydro-7-methoxy-3-((4-methyl-1-piperazinyl)methyl)-1-phenyl-, (Z)-2-butenedioate (1:2)|(E)-but-2-enedioic acid; 7-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline|But-2-enedioic Acid; 7-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline
| Molecular Formula | C30H35N3O9 |
|---|---|
| Molecular Weight | 581.2373 g/mol |
| LogP | 2.1283 |
| Topological Polar Surface Area | 177.27 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 581.2373 |
| Monoisotopic Mass | 581.2373 |
| Heavy Atoms | 42 |
| Complexity | 1248.5597 |
Chemical Identifiers
| CAS Number | 83658-75-7 |
|---|---|
| SMILES | CN1CCN(CC1)CC2N=C(C3=C(C2)C=CC(=C3)OC)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1087772 (CAS 83658-75-7), with molecular formula C30H35N3O9 and molecular weight 581.2373 g/mol. IUPAC: bis((E)-but-2-enedioic acid);7-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline.
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