2-(6-Cyano-3-{[2,2-Difluoro-2-(2-Pyridinyl)Ethyl]Amino}-2-Fluorophenyl)-N-(2-{[(Diaminomethylene)Amino]Oxy}Ethyl)Acetamide

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Properties Simple | Detailed

Formula C19H20F3N7O2+
IUPAC Name 2-[6-cyano-3-[[2,2-difluoro-2-(2-pyridyl)ethyl]amino]-2-fluoro-phenyl]-n-(2-guanidinooxyethyl)acetamide
Molecular Mass 435.403 g·mol−1
Heat of Formation -408.9 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 492.31 Å 3
Surface Area 444.84 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-yl-ethyl)amino]-2-fluoro-phenyl]-n-[2-(diaminomethylideneamino)oxyethyl]ethanamide
  • 2-[6-cyano-3-[[2,2-difluoro-2-(2-pyridyl)ethyl]amino]-2-fluoro-phenyl]-n-(2-guanidinooxyethyl)acetamide
  • 2-[6-cyano-3-[[2,2-difluoro-2-(2-pyridyl)ethyl]amino]-2-fluorophenyl]-n-(2-guanidinooxyethyl)acetamide
InChIKey STHCHQXQLDMISY-UHFFFAOYSA-N
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