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Home > Encyclopedia > (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanamide

(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanamide

(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanamide structure

(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanamide 

structure
  • CAS No:

    956984-72-8

  • Formula:

    C23H26ClF3N4OS

  • Chemical Name:

    (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanamide

  • Synonyms:

    ZINC12542013;AKOS034827530;MCULE-1612868604;Z57025011;(2S)-N-[(1S)-1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-2-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-3-methylbutanamide;956984-72-8

(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanamide Basic Attributes

499.0 g/mol

498.1467948 g/mol

Characteristics

95.1 Ų

Computed Properties

Molecular Weight:499.0
XLogP3:6.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:498.1467948
Monoisotopic Mass:498.1467948
Topological Polar Surface Area:95.1
Heavy Atom Count:33
Complexity:641
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanamide

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