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Home > Encyclopedia > 3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine structure

3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine 

structure
  • CAS No:

    380194-00-3

  • Formula:

    C20H23N5S

  • Chemical Name:

    3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

  • Synonyms:

    HMS1761I08;ZINC3264319;AKOS034457444;MCULE-4728677249;Z56813842;380194-00-3;4,6-dimethyl-2-{[(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)methyl]sulfanyl}pyrimidine

3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine Basic Attributes

365.5 g/mol

365.16741693 g/mol

Characteristics

81.8 Ų

Computed Properties

Molecular Weight:365.5
XLogP3:3.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:365.16741693
Monoisotopic Mass:365.16741693
Topological Polar Surface Area:81.8
Heavy Atom Count:26
Complexity:432
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

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