Axitinib

Molecule SVG Image

Properties Simple | Detailed

Formula C22H19N4OS
IUPAC Name n-methyl-2-[3-[(e)-2-(3h-pyridin-1-ium-3-id-6-yl)vinyl]indazol-1-ium-6-yl]sulfanyl-benzamide
Molecular Mass 387.477 g·mol−1
Heat of Formation 414.0 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 445.17 Å 3
Surface Area 403.99 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • ag 013736
  • ag-013736
  • ag-13736
  • benzamide, n-methyl-2-((3-((1e)-2-(2-pyridinyl)ethenyl)-1h-indazo)-6-yl)thio)-
  • n-methyl-2-((3-((1e)-2-(pyridin-2-yl)ethenyl)-1h-indazol-6-yl)sulfanyl)benzamide
  • n-methyl-2-[[3-[(e)-2-(2-pyridyl)vinyl]-1h-indazol-6-yl]sulfanyl]benzamide
  • n-methyl-2-[[3-[(e)-2-(2-pyridyl)vinyl]-1h-indazol-6-yl]thio]benzamide
  • n-methyl-2-[[3-[(e)-2-pyridin-2-ylethenyl]-1h-indazol-6-yl]sulfanyl]benzamide
CAS Number(s)
  • 319460-85-0
  • 790713-39-2
InChIKey RITAVMQDGBJQJZ-FMIVXFBMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N