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

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

CAS No:
326878-94-8
Formula:
C15H19N3O2
Chemical Name:
3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Synonyms:
Oprea1_783779;MLS001171523;CHEMBL2137444;HMS2907B21;ZINC3184613;AKOS034447137;MCULE-9453327115;SMR000595830;Z55729719;3-(3,4-dimethoxyphenyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine;326878-94-8

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

Molecular Weight：

273.33 g/mol

Exact Mass：

273.147726857 g/mol

Characteristics

PSA：

49.2 Å²

Water Solubility：

32.8 [ug/mL]

Computed Properties

Molecular Weight:273.33
XLogP3:2.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:273.147726857
Monoisotopic Mass:273.147726857
Topological Polar Surface Area:49.2
Heavy Atom Count:20
Complexity:316
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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