[(2R,3R)-2-(2,4-Difluorophenyl)-3-Methyl-2-(1H-1,2,4-Triazol-1-Ylmethyl)-4-Morpholinyl][4-(Trifluoromethyl)Phenyl]Methanone

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Formula C22H19F5N4O2
IUPAC Name [(2r,3r)-2-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-ylmethyl)-2-(2,4-difluorophenyl)-3-methyl-morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
Molecular Mass 466.404 g·mol−1
Heat of Formation -985.7 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 506.0 Å 3
Surface Area 390.99 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)-4-morpholinyl]-[4-(trifluoromethyl)phenyl]methanone
  • [(2r,3r)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
  • [2-(2,4-difluoro-phenyl)-3-methyl-2-[1,2,4]triazol-1-ylmethyl-morpholin-4-yl]-(4-trifluoromethyl-phenyl)-methanone
  • ur-9751
InChIKey QSVFWYIWGYYGQN-SPLOXXLWSA-N
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