RefChem:1056511
bis((E)-but-2-enedioic acid);ethyl 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxylate
Also Known As: 1-Piperazinecarboxylic acid, 4-(2-(4-(4-fluorophenyl)-1-piperazinyl)ethyl)-, ethyl ester, (E)-2-butenedioate (1:2)|((p-Fluorophenyl)-4 piperazinyl-1)-1 ((ethoxycarbonyl)-4 piperazinyl-1)-2 ethane difumarate|(E)-but-2-enedioic acid; ethyl 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxylate
| Molecular Formula | C27H37FN4O10 |
|---|---|
| Molecular Weight | 596.2494 g/mol |
| LogP | 1.1454 |
| Topological Polar Surface Area | 188.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 596.2494 |
| Monoisotopic Mass | 596.2494 |
| Heavy Atoms | 42 |
| Complexity | 1014.89026 |
Chemical Identifiers
| CAS Number | 65274-75-1 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCN2CCN(CC2)C3=CC=C(C=C3)F.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056511 (CAS 65274-75-1), with molecular formula C27H37FN4O10 and molecular weight 596.2494 g/mol. IUPAC: bis((E)-but-2-enedioic acid);ethyl 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxylate.
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