RefChem:1056508
bis((E)-but-2-enedioic acid);ethyl 4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazine-1-carboxylate
Also Known As: 1-Piperazinecarboxylic acid, 4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethyl ester, (E)-2-butenedioate (1:2)|(E)-but-2-enedioic acid; ethyl 4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazine-1-carboxylate|ETHYL 4-[2-[4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL]ETHYL]PIPERAZINE-1-CARBOXYLATE MALEATE
| Molecular Formula | C28H37F3N4O10 |
|---|---|
| Molecular Weight | 646.24615 g/mol |
| LogP | 2.0251 |
| Topological Polar Surface Area | 188.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 646.24615 |
| Monoisotopic Mass | 646.24615 |
| Heavy Atoms | 45 |
| Complexity | 1127.2769 |
Chemical Identifiers
| CAS Number | 65274-77-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056508 (CAS 65274-77-3), with molecular formula C28H37F3N4O10 and molecular weight 646.24615 g/mol. IUPAC: bis((E)-but-2-enedioic acid);ethyl 4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazine-1-carboxylate.
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