N-{4-Methyl-3-[2-(4-Morpholinyl)Ethyl]-2-Oxo-2H-Chromen-7-Yl}-4-Morpholinecarboxamide

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Properties Simple | Detailed

Formula C21H28N3O5+
IUPAC Name n-[4-methyl-3-(2-morpholinoethyl)-2-oxo-chromen-7-yl]morpholine-4-carboxamide
Molecular Mass 402.464 g·mol−1
Heat of Formation -704.1 ± 16.7 kJ·mol−1
Dipole Moment 8.12 ± 1.08 D
Volume 470.72 Å 3
Surface Area 409.55 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methyl-7-(4-morpholinecarboxamido)-3-(2-morpholinoethyl)coumarin
  • 4-morpholinecarboxamide, n-(4-methyl-3-(2-(4-morpholinyl)ethyl)-2-oxo-2h-1-benzopyran-7-yl)-
  • n-(3-(2-morpholinoethyl)-4-methyl-2-oxo-2h-1-benzopyran-7-yl)-4-morpholinecarboxamide
  • n-[4-methyl-3-(2-morpholin-4-ylethyl)-2-oxo-chromen-7-yl]morpholine-4-carboxamide
  • n-[4-methyl-3-(2-morpholinoethyl)-2-oxo-7-chromenyl]-4-morpholinecarboxamide
  • tvx-647
InChIKey BVXGJMKPMTXSFM-UHFFFAOYSA-N
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