3,5-Diamino-N-{2-[{3-[(2-{[3-Bromo-2-Hydroxy-5-(2-Methyl-2-Propanyl)Benzyl]Amino}Ethyl)Amino]-3-Oxopropyl}(Methyl)Amino]Ethyl}-6-Chloro-2-Pyrazinecarboxamide

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Properties Simple | Detailed

Formula C24H36BrClN8O3
IUPAC Name 3,5-diamino-n-[2-[[3-[2-[(3-bromo-5-tert-butyl-2-hydroxy-phenyl)methylamino]ethylamino]-3-oxo-propyl]-methyl-amino]ethyl]-6-chloro-pyrazine-2-carboxamide
Molecular Mass 599.951 g·mol−1
Heat of Formation -466.5 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 667.39 Å 3
Surface Area 533.09 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-diamino-n-[2-[[3-[2-[(3-bromo-5-tert-butyl-2-hydroxy-benzyl)amino]ethylamino]-3-keto-propyl]-methyl-amino]ethyl]-6-chloro-pyrazinamide
  • 3,5-diamino-n-[2-[[3-[2-[(3-bromo-5-tert-butyl-2-hydroxy-phenyl)methylamino]ethylamino]-3-oxo-propyl]-methyl-amino]ethyl]-6-chloro-pyrazine-2-carboxamide
  • 3,5-diamino-n-[2-[[3-[2-[(3-bromo-5-tert-butyl-2-hydroxyphenyl)methylamino]ethylamino]-3-oxopropyl]-methylamino]ethyl]-6-chloro-2-pyrazinecarboxamide
  • ici 207828
  • ici-207,828
  • n-(2-(3-bromo-5-tert-butyl-2-hydroxybenzylamino)ethyl)-3-(n-2-(3,4-diamino-6-chloropyrazin-2-ylcarboxamido)ethyl)-n-methylaminopropionamide
  • pyrazinecarboxamide, 3,5-diamino-n-(2-((3-((2-(((3-bromo-5-(1,1-dimethylethyl)-2-hydroxyphenyl)methyl)amino)ethyl)amino)-3-oxopropyl)methylamino)ethyl)-6-chloro-
CAS Number(s)
  • 119778-11-9
InChIKey OBRXFUXYWFFYJV-UHFFFAOYSA-N
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Elements C Cl H O N Br