 Home > Encyclopedia > 3-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

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

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

CAS No:
326034-30-4
Formula:
C16H21N3O3
Chemical Name:
3-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Synonyms:
3-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;326034-30-4;Oprea1_088658;MLS001174616;CHEMBL1719313;SCHEMBL15426147;HMS2873I18;ZINC3176259;STL301258;AKOS001055980;MCULE-9034813537;SMR000588553;Z55729718;3-(3,4,5-trimethoxyphenyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine

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

Molecular Weight：

303.36 g/mol

Exact Mass：

303.15829154 g/mol

Characteristics

PSA：

58.4 Å²

Water Solubility：

33.1 [ug/mL]

Computed Properties

Molecular Weight:303.36
XLogP3:2.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:303.15829154
Monoisotopic Mass:303.15829154
Topological Polar Surface Area:58.4
Heavy Atom Count:22
Complexity:344
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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