N-(1-(1,3-Benzodioxol-5-Ylmethyl)Piperidin-4-Yl)-7-Fluoro-4-Oxo-4H-Chromene-2-Carboxamide

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Properties Simple | Detailed

Formula C23H21FN2O5
IUPAC Name n-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-7-fluoro-4-oxo-chromene-2-carboxamide
Molecular Mass 424.422 g·mol−1
Heat of Formation -653.7 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 475.83 Å 3
Surface Area 418.32 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • n-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-7-fluoro-4-oxo-2-chromenecarboxamide
  • n-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-7-fluoro-4-keto-chromene-2-carboxamide
  • n-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-7-fluoro-4-oxo-chromene-2-carboxamide
  • n-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxo-chromene-2-carboxamide
  • n-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide
InChIKey FVFURMJFTAJXRH-UHFFFAOYSA-N
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