Almorexant

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Formula C29H31F3N2O3
IUPAC Name (2r)-2-[(1s,2s)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1h-isoquinolin-2-yl]-n-methyl-2-phenyl-acetamide
Molecular Mass 512.563 g·mol−1
Heat of Formation -911.4 ± 16.7 kJ·mol−1
Dipole Moment 8.36 ± 1.08 D
Volume 601.94 Å 3
Surface Area 494.72 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(1s)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1h-isoquinolin-2-yl]-n-methyl-2-phenyl-acetamide
  • (2r)-2-[(1s)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1h-isoquinolin-2-yl]-n-methyl-2-phenyl-ethanamide
  • (2r)-2-[(1s)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1h-isoquinolin-2-yl]-n-methyl-2-phenylacetamide
InChIKey DKMACHNQISHMDN-RPLLCQBOSA-N
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