4-[[2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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![4-[[2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7fdc63be29194bb79189740d756c458e.png "4-[[2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid")
4-[[2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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CAS No:
585555-55-1
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Formula:
C28H28N4O4S
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Chemical Name:
4-[[2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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Synonyms:
ZINC2383576;STL000616;AKOS032386040;4-[({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid;585555-55-1
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CAS No:
4-[[2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Basic Attributes
516.6 g/mol
516.18312656 g/mol
Computed Properties
Molecular Weight:516.6
XLogP3:5.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:516.18312656
Monoisotopic Mass:516.18312656
Topological Polar Surface Area:132
Heavy Atom Count:37
Complexity:754
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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