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Almorexant

Almorexant structure

Almorexant 

structure
  • CAS No:

    871224-64-5

  • Formula:

    C29H31F3N2O3

  • Chemical Name:

    Almorexant

  • Synonyms:

    2(1H)-Isoquinolineacetamide,3,4-dihydro-6,7-dimethoxy-N-methyl-α-phenyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-,(αR,1S)-;(αR,1S)-3,4-Dihydro-6,7-dimethoxy-N-methyl-α-phenyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2(1H)-isoquinolineacetamide;ACT 078573;Almorexant

Almorexant Basic Attributes

512.56300

512.56

Characteristics

50.80000

6.07070

1.205g/cm3

624ºC

Computed Properties

Molecular Weight:512.6
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:512.22867734
Monoisotopic Mass:512.22867734
Topological Polar Surface Area:50.8
Heavy Atom Count:37
Complexity:722
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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