3-Amino-N-(3-Methoxypropyl)-6-{4-[(4-Methyl-1-Piperazinyl)Sulfonyl]Phenyl}-2-Pyrazinecarboxamide

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Formula C20H28N6O4S
IUPAC Name 3-amino-n-(3-methoxypropyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
Molecular Mass 448.539 g·mol−1
Heat of Formation -414.0 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 522.36 Å 3
Surface Area 463.33 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-n-(3-methoxypropyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazinamide
  • 3-amino-n-(3-methoxypropyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
  • 3-amino-n-(3-methoxypropyl)-6-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-2-pyrazinecarboxamide
InChIKey YVGRIAWEROZMPD-UHFFFAOYSA-N
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