1-[2-Hydroxy-3-Propyl-4-(4-{2-[4-(2H-Tetrazol-5-Yl)Butyl]-2H-Tetrazol-5-Yl}Butoxy)Phenyl]Ethanone

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Properties Simple | Detailed

Formula C21H30N8O3
IUPAC Name 1-[2-hydroxy-3-propyl-4-[4-[2-[4-(2h-tetrazol-5-yl)butyl]tetrazol-5-yl]butoxy]phenyl]ethanone
Molecular Mass 442.515 g·mol−1
Heat of Formation 465.0 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 530.25 Å 3
Surface Area 395.99 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.87 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-hydroxy-3-propyl-4-(4-(2-(4-(1h-tetrazol-5-yl)butyl)2h-tetrazol-5-yl)butoxy)phenyl)
  • 1-[2-hydroxy-3-propyl-4-[4-[2-[4-(2h-1,2,3,4-tetrazol-5-yl)butyl]-1,2,3,4-tetrazol-5-yl]butoxy]phenyl]ethanone
  • 1-[2-hydroxy-3-propyl-4-[4-[2-[4-(2h-tetrazol-5-yl)butyl]-5-tetrazolyl]butoxy]phenyl]ethanone
  • ethanone, 1-(2-hydroxy-3-propyl-4-(4-(2-(4-(1h-tetrazol-5-yl)butyl)-2h-tetrazol-5-yl)butoxy)phenyl)-
  • ly 203647
  • ly-203647
CAS Number(s)
  • 122009-61-4
InChIKey LTMJMFMIOHHHIQ-UHFFFAOYSA-N
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