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3-benzyl-6-[(4-tert-butylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-benzyl-6-[(4-tert-butylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure

CAS No:
825604-89-5
Formula:
C21H22N4OS
Chemical Name:
3-benzyl-6-[(4-tert-butylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Synonyms:
(3-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl 4-tert-butylphenyl ether;3-benzyl-6-[(4-tert-butylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;CHEMBL498046;ZINC2877088;STK500080;AKOS001846477;MCULE-5809332488;AO-365/43113274;825604-89-5

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3-benzyl-6-[(4-tert-butylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Basic Attributes

Molecular Weight：

378.5 g/mol

Exact Mass：

378.15143251 g/mol

Characteristics

PSA：

80.6 Å²

XLogP3：

4.6531

Computed Properties

Molecular Weight:378.5
XLogP3:5.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:378.15143251
Monoisotopic Mass:378.15143251
Topological Polar Surface Area:80.6
Heavy Atom Count:27
Complexity:471
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-benzyl-6-[(4-tert-butylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Basic Attributes
Characteristics
Computed Properties

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