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 C21H18FN5O5S
IUPAC Name 3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridyl]methyl]-4-methyl-7-pyrimidin-2-yloxy-chromen-2-one
Molecular Mass 471.462 g·mol−1
Heat of Formation -555.5 ± 16.7 kJ·mol−1
Dipole Moment 9.07 ± 1.08 D
Volume 502.28 Å 3
Surface Area 435.24 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.62 ± 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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