2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
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![2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/758aa6ffebc84ab88aec4a834a0c1eab.png "2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone")
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
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CAS No:
577998-06-2
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Formula:
C23H18ClN3O4S
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Chemical Name:
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
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Synonyms:
MLS-0390839.0001;CHEMBL1704727;BDBM46062;cid_1973575;ZINC2361591;AKOS032385265;2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone;ST50414491;1-(3,4-dihydroxyphenyl)-2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazo l-3-ylthio)]ethan-1-one;1-[3,4-bis(oxidanyl)phenyl]-2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone;2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone;577998-06-2
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CAS No:
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone Basic Attributes
467.9 g/mol
467.0706549 g/mol
Computed Properties
Molecular Weight:467.9
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:467.0706549
Monoisotopic Mass:467.0706549
Topological Polar Surface Area:123
Heavy Atom Count:32
Complexity:616
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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