2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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![2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/27b9635d753041a891f15267adf7e0ad.png "2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid")
2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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CAS No:
64013-65-6
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Formula:
C21H23N3O3S
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Chemical Name:
2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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Synonyms:
MLS003170674;64013-65-6;NSC326177;DTXSID40318111;ZINC1573462;NSC-326177;SMR001874597;DS-006366;ACETIC ACID,2-[[5-[(2,6-DIMETHYLPHENOXY)METHYL]-4-(2,6-DIMETHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-
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CAS No:
2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Basic Attributes
397.5 g/mol
397.14601278 g/mol
326177
DTXSID40318111
Computed Properties
Molecular Weight:397.5
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:397.14601278
Monoisotopic Mass:397.14601278
Topological Polar Surface Area:103
Heavy Atom Count:28
Complexity:503
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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