6-Ethyl-2-{5-[(4-Methyl-1-Piperazinyl)Sulfonyl]-2-Propoxyphenyl}-4(1H)-Pyrimidinone

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Formula C20H28N4O4S
IUPAC Name 6-ethyl-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1h-pyrimidin-4-one
Molecular Mass 420.526 g·mol−1
Heat of Formation -540.3 ± 16.7 kJ·mol−1
Dipole Moment 6.96 ± 1.08 D
Volume 497.77 Å 3
Surface Area 424.14 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
InChIKey AFKWCGKAOQNLTO-UHFFFAOYSA-N
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