1-{4-[(5-Amino-6-Chloro-2-Pyridinyl)Amino]Benzyl}-4-Benzyl-2,3-Piperazinedione

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Properties Simple | Detailed

Formula C23H22ClN5O2
IUPAC Name 1-[[4-[(5-amino-6-chloro-2-pyridyl)amino]phenyl]methyl]-4-benzyl-piperazine-2,3-dione
Molecular Mass 435.906 g·mol−1
Heat of Formation 33.0 ± 16.7 kJ·mol−1
Dipole Moment 9.05 ± 1.08 D
Volume 501.31 Å 3
Surface Area 432.95 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-(5-amino-6-chloro-2-pyridyl)aminobenzyl)-4-benzyl-2,3-dioxopiperazine
  • 1-[4-[(5-amino-6-chloro-2-pyridyl)amino]benzyl]-4-(benzyl)piperazine-2,3-quinone
  • 1-[[4-[(5-amino-6-chloro-2-pyridyl)amino]phenyl]methyl]-4-(phenylmethyl)piperazine-2,3-dione
  • 1-[[4-[(5-amino-6-chloro-pyridin-2-yl)amino]phenyl]methyl]-4-(phenylmethyl)piperazine-2,3-dione
  • 2,3-piperazinedione, 1-((4-((5-amino-6-chloro-2-pyridinyl)amino)phenyl)methyl)-4-(phenylmethyl)-
  • 2,3-piperazinedione, 1-(p-((5-amino-6-chloro-2-pyridyl)amino)benzyl)-4-benzyl-
CAS Number(s)
  • 77918-04-8
InChIKey KHWTZMSGVSLLEV-UHFFFAOYSA-N
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