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2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide

2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide structure

CAS No:
482643-99-2
Formula:
C25H24ClN5OS
Chemical Name:
2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
Synonyms:
ZINC1438916;SALOR-INT L444499-1EA;STK680627;AKOS000574028;MCULE-8694555985;ST50260808;2-((5-(((3-Chlorophenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-dimethylphenyl)acetamide;2-({5-[(3-CHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)-N-(2,6-DIMETHYLPHENYL)ACETAMIDE;2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide;482643-99-2;N-(2,6-dimethylphenyl)-2-(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl(1,2,4-tri azol-3-ylthio))acetamide

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2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide Basic Attributes

Molecular Weight：

478.0 g/mol

Exact Mass：

477.1390093 g/mol

Characteristics

PSA：

97.1 Å²

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:478.0
XLogP3:5.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:477.1390093
Monoisotopic Mass:477.1390093
Topological Polar Surface Area:97.1
Heavy Atom Count:33
Complexity:612
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide

Basic Attributes
Characteristics
Safety Information
Computed Properties

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