2-(Morpholin-4-Yl)-6-(Thianthren-1-Yl)-4H-Pyran-4-One

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Properties Simple | Detailed

Formula C21H17NO3S2
IUPAC Name 2-morpholino-6-thianthren-1-yl-pyran-4-one
Molecular Mass 395.495 g·mol−1
Heat of Formation -125.9 ± 16.7 kJ·mol−1
Dipole Moment 6.84 ± 1.08 D
Volume 439.47 Å 3
Surface Area 362.88 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one
  • 2-morpholin-4-yl-6-thianthren-1-ylpyran-4-one
  • 2-morpholino-6-(1-thianthrenyl)-4-pyranone
  • 4h-pyran-4-one, 2-(4-morpholinyl)-6-(1-thianthrenyl)-
  • atm kinase inhibitor
  • ec-000.1920
  • ku-55933
CAS Number(s)
  • 587871-26-9
InChIKey XRKYMMUGXMWDAO-UHFFFAOYSA-N
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