RefChem:1055120
(Z)-but-2-enedioic acid;[1-(4-fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl] acetate
Also Known As: 1-Butanone, 2-(acetyloxy)-1-(4-fluorophenyl)-4-(4-phenyl-1-piperazinyl)-, maleate|1-(4-Fluorophenyl)-2-(acetyloxy)-4-(4-phenyl-1-piperazinyl)-1-butanone maleate|Acetic acid, 1-(4-fluorobenzoyl)-3-(4-phenyl-1-piperazinyl)propyl ester, maleate|(Z)-but-2-enedioic acid; [1-(4-fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl] acetate
| Molecular Formula | C26H29FN2O7 |
|---|---|
| Molecular Weight | 500.1959 g/mol |
| LogP | 2.8642 |
| Topological Polar Surface Area | 124.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 500.1959 |
| Monoisotopic Mass | 500.1959 |
| Heavy Atoms | 36 |
| Complexity | 1033.7222 |
Chemical Identifiers
| CAS Number | 95217-22-4 |
|---|---|
| SMILES | CC(=O)OC(CCN1CCN(CC1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1055120 (CAS 95217-22-4), with molecular formula C26H29FN2O7 and molecular weight 500.1959 g/mol. IUPAC: (Z)-but-2-enedioic acid;[1-(4-fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl] acetate.
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