Elagolix

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Properties Simple | Detailed

Formula C32H30F5N3O5
IUPAC Name 4-[[(1r)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid
Molecular Mass 631.590 g·mol−1
Heat of Formation -1668.9 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 709.45 Å 3
Surface Area 555.08 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 1.78 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(1r)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[2-fluoro-6-(trifluoromethyl)benzyl]-2,6-diketo-4-methyl-pyrimidin-1-yl]-1-phenyl-ethyl]amino]butyric acid
  • 4-[[(1r)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid
  • 4-[[(1r)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-1-pyrimidinyl]-1-phenylethyl]amino]butanoic acid
InChIKey HEAUOKZIVMZVQL-VWLOTQADSA-N
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