N-[2-(Carbamimidamidooxy)Ethyl]-2-{3-[(2,2-Difluoro-2-Phenylethyl)Amino]-6-Methyl-2-Oxopyrazin-1(2H)-Yl}Acetamide

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Properties Simple | Detailed

Formula C18H23F2N7O3
IUPAC Name 2-[3-[(2,2-difluoro-2-phenyl-ethyl)amino]-6-methyl-2-oxo-pyrazin-1-yl]-n-(2-guanidinooxyethyl)acetamide
Molecular Mass 423.417 g·mol−1
Heat of Formation -580.8 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 479.31 Å 3
Surface Area 411.62 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-[(2,2-difluoro-2-phenyl-ethyl)amino]-2-keto-6-methyl-pyrazin-1-yl]-n-(2-guanidinooxyethyl)acetamide
  • 2-[3-[(2,2-difluoro-2-phenyl-ethyl)amino]-6-methyl-2-oxo-pyrazin-1-yl]-n-(2-guanidinooxyethyl)acetamide
  • 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxo-1-pyrazinyl]-n-(2-guanidinooxyethyl)acetamide
  • n-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2,2-difluoro-2-phenyl-ethyl)amino]-6-methyl-2-oxo-pyrazin-1-yl]ethanamide
  • n-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide
InChIKey IDCKXHIGLKQWMM-UHFFFAOYSA-N
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