2-[2-Ethoxy-5-(1-Piperidinylsulfonyl)Phenyl]-5-Methyl-7-Propylimidazo[5,1-F][1,2,4]Triazin-4(1H)-One

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Formula C22H29N5O4S
IUPAC Name 2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methyl-7-propyl-1h-imidazo[5,1-f][1,2,4]triazin-4-one
Molecular Mass 459.562 g·mol−1
Heat of Formation -357.5 ± 16.7 kJ·mol−1
Dipole Moment 10.57 ± 1.08 D
Volume 537.42 Å 3
Surface Area 446.18 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
InChIKey QAYHPAMSDMZXJB-UHFFFAOYSA-N
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