Vapendavir

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Properties Simple | Detailed

Formula C21H26N4O3
IUPAC Name 3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)-4-piperidyl]ethoxy]-1,2-benzoxazole
Molecular Mass 382.456 g·mol−1
Heat of Formation -45.4 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 458.37 Å 3
Surface Area 422.5 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ethoxy-6-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-1,2-benzoxazole
  • 3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)-4-piperidyl]ethoxy]indoxazene
  • 3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole
  • 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzisoxazole
InChIKey DKSVBVKHUICELN-UHFFFAOYSA-N
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