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Home > Encyclopedia > 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone structure

1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone 

structure
  • CAS No:

    562801-86-9

  • Formula:

    C25H30N4O2S

  • Chemical Name:

    1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

  • Synonyms:

    ZINC3345827;AKOS000836733;MCULE-4194551698;Z16441162;1-(azepan-1-yl)-2-{[5-(4-methoxyphenyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one;562801-86-9

1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Basic Attributes

450.6 g/mol

450.20894739 g/mol

Characteristics

85.6 Ų

Computed Properties

Molecular Weight:450.6
XLogP3:4.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:450.20894739
Monoisotopic Mass:450.20894739
Topological Polar Surface Area:85.6
Heavy Atom Count:32
Complexity:558
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

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