1-[4-(4-{[(2S,4S)-2-(2,4-Dichlorophenyl)-2-(1H-Imidazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methoxy}Phenyl)-1-Piperazinyl]Ethanone

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Properties Simple | Detailed

Formula C26H28Cl2N4O4
IUPAC Name 1-[4-[4-[[(2s,4s)-2-(2,4-dichlorophenyl)-2-(2h-imidazol-1-ium-2-ylium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
Molecular Mass 531.431 g·mol−1
Heat of Formation -398.3 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 603.4 Å 3
Surface Area 495.01 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-[4-[[(2s,4s)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]ethanone
  • 1-[4-[4-[[(2s,4s)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
  • 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
InChIKey XMAYWYJOQHXEEK-JYFHCDHNSA-N
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