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

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Properties Simple | Detailed

Formula C20H27ClN4O4S+
IUPAC Name 5-chloro-6-ethyl-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]pyrimidin-4-one
Molecular Mass 454.971 g·mol−1
Heat of Formation -563.8 ± 16.7 kJ·mol−1
Dipole Moment 7.76 ± 1.08 D
Volume 522.25 Å 3
Surface Area 438.35 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
InChIKey HVJOKVUJWQTZFF-UHFFFAOYSA-N
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