Sgx 523

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Properties Simple | Detailed

Formula C18H14N7S
IUPAC Name 6-[[6-(1-methyl-3h-pyrazol-1-ium-3-ylium-4-yl)-8h-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-id-3-yl]sulfanyl]quinolin-1-ium-4a-ide
Molecular Mass 360.416 g·mol−1
Heat of Formation 863.7 ± 16.7 kJ·mol−1
Dipole Moment 7.08 ± 1.08 D
Volume 399.12 Å 3
Surface Area 365.53 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[[6-(1-methyl-4-pyrazolyl)-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]thio]quinoline
  • 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]sulfanyl]quinoline
  • 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]thio]quinoline
InChIKey BCZUAADEACICHN-UHFFFAOYSA-N
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