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2-[[5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide

2-[[5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide structure

CAS No:
539809-72-8
Formula:
C25H24ClN5O2S
Chemical Name:
2-[[5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
Synonyms:
Salor-int l444626-1ea;ZINC1439671;STK680734;AKOS005596275;MCULE-5209279982;2-((5-(((3-Chloro-2-methylphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide;2-({5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide;2-[(5-{[(3-chloro-2-methylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide;539809-72-8

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2-[[5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide Basic Attributes

Molecular Weight：

494.0 g/mol

Exact Mass：

493.1339239 g/mol

Characteristics

PSA：

106 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:494.0
XLogP3:5.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:493.1339239
Monoisotopic Mass:493.1339239
Topological Polar Surface Area:106
Heavy Atom Count:34
Complexity:640
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide

Basic Attributes
Characteristics
Safety Information
Computed Properties

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