5-[2-Ethoxy-5-(4-Ethylpiperazin-1-Yl)Sulfonyl-Phenyl]-1-Methyl-3-Propyl-4H-Pyrazolo[4,3-D]Pyrimidin-6-Ium-7-One

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Properties Simple | Detailed

Formula C23H32N6O4S
IUPAC Name 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4h-pyrazolo[4,3-d]pyrimidin-6-ium-7-one
Molecular Mass 488.603 g·mol−1
Heat of Formation -350.3 ± 16.7 kJ·mol−1
Dipole Moment 10.63 ± 1.08 D
Volume 570.73 Å 3
Surface Area 478.01 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
InChIKey PHBLHUXKVDZUDG-UHFFFAOYSA-O
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