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

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Properties Simple | Detailed

Formula C24H26Cl2N4O3
IUPAC Name 1-[4-[[(2s,4r)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
Molecular Mass 489.394 g·mol−1
Heat of Formation -165.0 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 556.11 Å 3
Surface Area 451.87 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-[[(2s,4r)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
  • 1-[4-[[(2s,4r)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
  • cis-1-(4-((2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine
  • deacylketoconazole
  • piperazine, 1-(4-((2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-
CAS Number(s)
  • 67914-61-8
InChIKey LOUXSEJZCPKWAX-ZJSXRUAMSA-N
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Elements H C N O Cl