N-(3-Fluoro-4-{[4-Methyl-2-Oxo-7-(2-Pyrimidinyloxy)-2H-Chromen-3-Yl]Methyl}-2-Pyridinyl)-N'-Methylsulfuric Diamide

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Properties Simple | Detailed

Formula C21H19FN5O5S+
IUPAC Name 3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridyl]methyl]-4-methyl-7-pyrimidin-2-yloxy-chromen-2-one
Molecular Mass 472.469 g·mol−1
Heat of Formation -557.1 ± 16.7 kJ·mol−1
Dipole Moment 8.52 ± 1.08 D
Volume 497.05 Å 3
Surface Area 433.43 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 1.72 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridyl]methyl]-4-methyl-7-(2-pyrimidinyloxy)-2-chromenone
  • 3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridyl]methyl]-4-methyl-7-pyrimidin-2-yloxy-coumarin
  • 3-[[3-fluoro-2-(methylsulfamoylamino)pyridin-4-yl]methyl]-4-methyl-7-pyrimidin-2-yloxy-chromen-2-one
InChIKey LMMJFBMMJUMSJS-UHFFFAOYSA-N
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