2-[6-Chloro-3-{[2,2-Difluoro-2-(1-Oxido-2-Pyridinyl)Ethyl]Amino}-2-Oxo-1(2H)-Pyrazinyl]-N-(2-Fluorobenzyl)Acetamide

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Properties Simple | Detailed

Formula C20H23ClF3N5O3++
IUPAC Name 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopiperidine-2,3,4,5,6-pentaid-2-yl)ethyl]amino]-2-oxo-pyrazin-1-ium-3-ylium-1-yl]-n-[(2-fluorophenyl)methyl]acetamide
Molecular Mass 473.877 g·mol−1
Heat of Formation -654.4 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 490.85 Å 3
Surface Area 424.33 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(6-chloro-3-{[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluorophenyl)methyl]acetamide
  • 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxido-2-pyridin-1-iumyl)ethyl]amino]-2-oxo-1-pyrazinyl]-n-[(2-fluorophenyl)methyl]acetamide
  • 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-keto-pyrazin-1-yl]-n-(2-fluorobenzyl)acetamide
  • 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxo-pyrazin-1-yl]-n-[(2-fluorophenyl)methyl]acetamide
  • 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxo-pyrazin-1-yl]-n-[(2-fluorophenyl)methyl]ethanamide
  • cdd
InChIKey ZIGSBBKEPNQXRG-UHFFFAOYSA-N
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