7-{3-[4-(2-Pyrimidinyl)-1-Piperazinyl]Propoxy}-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C20H22N4O3
IUPAC Name 7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]chromen-2-one
Molecular Mass 366.414 g·mol−1
Heat of Formation -136.1 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 430.08 Å 3
Surface Area 394.89 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 7-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propoxy)-
  • 7-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propoxy)-2h-1-benzopyran-2-one sulfate
  • 7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]coumarin
  • 7-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propoxy]-2-chromenone
  • pd 118717
CAS Number(s)
  • 104229-37-0
InChIKey VOVJICPSVGGMIF-UHFFFAOYSA-N
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