RefChem:1056697
bis((E)-but-2-enedioic acid);3-[4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazin-1-yl]propanoic acid
Also Known As: 1-Piperazinepropanoic acid, 4-(2-(phenyl(3-(trifluoromethyl)phenyl)methoxy)ethyl)-, dimaleate|1-Piperazinepropionic acid, 4-(2-(phenyl-alpha,alpha,alpha-trifluoro-m-tolylmethoxy)ethyl)-, dimaleate|(E)-but-2-enedioic acid; 3-[4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazin-1-yl]propanoic acid
| Molecular Formula | C31H35F3N2O11 |
|---|---|
| Molecular Weight | 668.2193 g/mol |
| LogP | 3.3273 |
| Topological Polar Surface Area | 202.21 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 668.2193 |
| Monoisotopic Mass | 668.2193 |
| Heavy Atoms | 47 |
| Complexity | 1308.2703 |
Chemical Identifiers
| CAS Number | 61897-07-2 |
|---|---|
| SMILES | C1N(CCN(C1)CCOC(C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3)CCC(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056697 (CAS 61897-07-2), with molecular formula C31H35F3N2O11 and molecular weight 668.2193 g/mol. IUPAC: bis((E)-but-2-enedioic acid);3-[4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazin-1-yl]propanoic acid.
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