 Home > Encyclopedia > 4-[2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile

4-[2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile

4-[2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile structure

CAS No:
721405-45-4
Formula:
C26H23N5OS
Chemical Name:
4-[2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile
Synonyms:
ZINC3222409;AKOS034461851;MCULE-5954530715;Z56859950;4-(2-{[4-(2,6-diethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile;721405-45-4

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4-[2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile Basic Attributes

Molecular Weight：

453.6 g/mol

Exact Mass：

453.16233155 g/mol

Characteristics

PSA：

110 Å²

Computed Properties

Molecular Weight:453.6
XLogP3:5.2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:453.16233155
Monoisotopic Mass:453.16233155
Topological Polar Surface Area:110
Heavy Atom Count:33
Complexity:675
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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