N-(2-{[3-(Diaminomethylene)-6-Oxo-1,4-Cyclohexadien-1-Yl]Oxy}-3,5-Difluoro-6-[3-(1-Methyl-4,5-Dihydro-1H-Imidazol-2-Yl)Phenoxy]-4-Pyridinyl)-N-Methylglycine

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Properties Simple | Detailed

Formula C25H24F2N6O5
IUPAC Name 2-[[2-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]oxy-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]-methyl-amino]acetic acid
Molecular Mass 526.492 g·mol−1
Heat of Formation -711.8 ± 16.7 kJ·mol−1
Dipole Moment 13.36 ± 1.08 D
Volume 578.65 Å 3
Surface Area 451.14 Å 2
HOMO Energy -7.88 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[2-[[3-(diaminomethylene)-6-keto-1-cyclohexa-1,4-dienyl]oxy]-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]-methyl-amino]acetic acid
  • 2-[[2-[[3-(diaminomethylene)-6-oxo-1-cyclohexa-1,4-dienyl]oxy]-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]-methyl-amino]acetic acid
  • 2-[[2-[[3-(diaminomethylene)-6-oxo-1-cyclohexa-1,4-dienyl]oxy]-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]-methylamino]acetic acid
  • 2-[[2-[[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]oxy]-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]-methyl-amino]ethanoic acid
  • 2-[[2-[[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]oxy]-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]-methylamino]acetic acid
  • bx-807834
  • d04183
  • fidexaban
  • fidexaban (usan)
  • n-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-3,5-difluoro-6-[3-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)phenoxy]pyridin-4-yl]-n-methylglycine
  • z34
  • zk-807191
  • zk-807834
InChIKey QHVBWSIFLCIXBD-UHFFFAOYSA-N
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