N-(2-bromophenyl)-2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
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![N-(2-bromophenyl)-2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/63488283979448dfb2987f6b8868e26d.png "N-(2-bromophenyl)-2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide")
N-(2-bromophenyl)-2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
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CAS No:
477313-60-3
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Formula:
C27H27BrN4O2S
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Chemical Name:
N-(2-bromophenyl)-2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
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Synonyms:
N-(2-bromophenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide;N-(2-Bromophenyl)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide;ZINC2508594;STK048679;AKOS002172672;MCULE-6929963304;ST50060090;2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)}-N-(2- bromophenyl)acetamide;477313-60-3
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CAS No:
N-(2-bromophenyl)-2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Basic Attributes
551.5 g/mol
550.10381 g/mol
Safety Information
|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:551.5
XLogP3:6.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:550.10381
Monoisotopic Mass:550.10381
Topological Polar Surface Area:94.3
Heavy Atom Count:35
Complexity:677
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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