3,5-Diamino-N-{2-[(2-{[(6-Bromo-5-Hydroxy-1,1-Dimethyl-2,3-Dihydro-1H-Inden-4-Yl)Methyl]Amino}Ethyl)(Methyl)Amino]Ethyl}-6-Chloro-2-Pyrazinecarboxamide

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Properties Simple | Detailed

Formula C22H31BrClN7O2
IUPAC Name 3,5-diamino-n-[2-[2-[(6-bromo-5-hydroxy-1,1-dimethyl-indan-4-yl)methylamino]ethyl-methyl-amino]ethyl]-6-chloro-pyrazine-2-carboxamide
Molecular Mass 540.884 g·mol−1
Heat of Formation -241.5 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 586.9 Å 3
Surface Area 477.33 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-diamino-n-(2-((2-(((6-bromo-2,3-dihydro-5-hydroxy-1,1-dimethyl-1h-inden-4-yl)methyl)amino)ethyl)methylamino)ethyl)-6-chloropyrazinecarboxamide
  • 3,5-diamino-n-[2-[2-[(6-bromo-5-hydroxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methylamino]ethyl-methyl-amino]ethyl]-6-chloro-pyrazine-2-carboxamide
  • 3,5-diamino-n-[2-[2-[(6-bromo-5-hydroxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methylamino]ethyl-methylamino]ethyl]-6-chloropyrazine-2-carboxamide
  • 3,5-diamino-n-[2-[2-[(6-bromo-5-hydroxy-1,1-dimethyl-4-indanyl)methylamino]ethyl-methylamino]ethyl]-6-chloro-2-pyrazinecarboxamide
  • 3,5-diamino-n-[2-[2-[(6-bromo-5-hydroxy-1,1-dimethyl-indan-4-yl)methylamino]ethyl-methyl-amino]ethyl]-6-chloro-pyrazinamide
  • 3,5-diamino-n-[2-[2-[(6-bromo-5-hydroxy-1,1-dimethyl-indan-4-yl)methylamino]ethyl-methyl-amino]ethyl]-6-chloro-pyrazine-2-carboxamide
  • pyrazinecarboxamide, 3,5-diamino-n-(2-((2-(((6-bromo-2,3-dihydro-5-hydroxy-1,1-dimethyl-1h-inden-4-yl)methyl)amino)ethyl)methylamino)ethyl)-6-chloro-
  • zeneca zm 224832
  • zeneca zm-224,832
CAS Number(s)
  • 126988-14-5
InChIKey MHIZNYQKJOLUQY-UHFFFAOYSA-N
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Elements C Cl H O N Br