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

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

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

CAS No:
721886-25-5
Formula:
C15H18ClN3O
Chemical Name:
3-[(4-chloro-2-methylphenoxy)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Synonyms:
MLS001004913;CHEMBL1299632;HMS2688C11;ZINC3299382;AKOS005199039;MCULE-9768868410;SMR000348424;SR-01000037187;SR-01000037187-1;Z56865000;3-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine;721886-25-5

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

Molecular Weight：

291.77 g/mol

Exact Mass：

291.1138399 g/mol

Characteristics

PSA：

39.9 Å²

Water Solubility：

26.3 [ug/mL]

Computed Properties

Molecular Weight:291.77
XLogP3:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:291.1138399
Monoisotopic Mass:291.1138399
Topological Polar Surface Area:39.9
Heavy Atom Count:20
Complexity:318
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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