2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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![2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/161dc57bacc2453f8488551d531008fd.png "2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid")
2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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CAS No:
722490-57-5
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Formula:
C18H14N4O2S3
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Chemical Name:
2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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Synonyms:
2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid;722490-57-5;MLS000773447;CHEMBL1544697;HMS2732B17;ZINC3256215;AKOS034444426;MCULE-2814884016;NE60210;2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid;SMR000364153;EN300-08178;Z55180052
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CAS No:
2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Basic Attributes
414.5 g/mol
414.02788922 g/mol
Computed Properties
Molecular Weight:414.5
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:414.02788922
Monoisotopic Mass:414.02788922
Topological Polar Surface Area:160
Heavy Atom Count:27
Complexity:509
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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