2-[6-Chloro-3-{[2,2-Difluoro-2-(1-Oxido-2-Pyridinyl)Ethyl]Amino}-2-Oxo-1(2H)-Pyrazinyl]-N-[5-Chloro-2-(1H-Tetrazol-1-Yl)Benzyl]Acetamide

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Properties Simple | Detailed

Formula C21H23Cl2F2N9O3++
IUPAC Name n-[[5-chloro-2-(2,4-diaza-1-azonia-3-azanidacyclopenta-1,4-dien-1-yl)phenyl]methyl]-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]acetamide
Molecular Mass 558.369 g·mol−1
Heat of Formation -148.0 ± 16.7 kJ·mol−1
Dipole Moment 8.63 ± 1.08 D
Volume 564.6 Å 3
Surface Area 455.2 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 1.47 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxido-2-pyridin-1-iumyl)ethyl]amino]-2-oxo-1-pyrazinyl]-n-[[5-chloro-2-(1-tetrazolyl)phenyl]methyl]acetamide
  • 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-keto-pyrazin-1-yl]-n-[5-chloro-2-(tetrazol-1-yl)benzyl]acetamide
  • 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxo-pyrazin-1-yl]-n-[[5-chloro-2-(1,2,3,4-tetrazol-1-yl)phenyl]methyl]ethanamide
  • 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxo-pyrazin-1-yl]-n-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide
InChIKey QOKFRQVFMZFNBC-UHFFFAOYSA-N
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