1-(3-Amino-1,2-Benzoxazol-5-Yl)-6-(4-{2-[(Dimethylamino)Methyl]-1H-Imidazol-1-Yl}-2-Fluorophenyl)-7-Fluoro-1H-Indazole-3-Carboxamide

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Properties Simple | Detailed

Formula C27H22F2N8O2
IUPAC Name 1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoro-phenyl]-7-fluoro-indazol-1-ium-2-ide-3-carboxamide
Molecular Mass 528.513 g·mol−1
Heat of Formation 168.5 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 594.94 Å 3
Surface Area 489.22 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-(dimethylaminomethyl)-1-imidazolyl]-2-fluorophenyl]-7-fluoro-3-indazolecarboxamide
  • 1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-(dimethylaminomethyl)imidazol-1-yl]-2-fluoro-phenyl]-7-fluoro-indazole-3-carboxamide
  • 1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-(dimethylaminomethyl)imidazol-1-yl]-2-fluorophenyl]-7-fluoroindazole-3-carboxamide
  • 1-(3-aminoindoxazen-5-yl)-6-[4-[2-(dimethylaminomethyl)imidazol-1-yl]-2-fluoro-phenyl]-7-fluoro-indazole-3-carboxamide
InChIKey MGUDDBRJHXFTEY-UHFFFAOYSA-N
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