RefChem:1056927
bis((E)-but-2-enedioic acid);1-(2,4-dimethoxyphenyl)-3-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
Also Known As: 1-Propanone, 1-(2,4-dimethoxyphenyl)-3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-, (Z)-2-butenedioate (1:2)|(E)-but-2-enedioic acid; 1-(2,4-dimethoxyphenyl)-3-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
| Molecular Formula | C40H44N4O11 |
|---|---|
| Molecular Weight | 756.30066 g/mol |
| LogP | 4.5811 |
| Topological Polar Surface Area | 209.03 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 756.30066 |
| Monoisotopic Mass | 756.30066 |
| Heavy Atoms | 55 |
| Complexity | 1930.4586 |
Chemical Identifiers
| CAS Number | 51493-30-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(=O)CCN2C(=NC3=CC=CC=C23)CN4CCN(CC4)C/C=C/C5=CC=CC=C5)OC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056927 (CAS 51493-30-2), with molecular formula C40H44N4O11 and molecular weight 756.30066 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-(2,4-dimethoxyphenyl)-3-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one.
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