2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid
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![2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4c77d76d7f654095ab411f7a2ed1252d.png "2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid")
2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid
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CAS No:
498569-12-3
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Formula:
C20H18N4O4S2
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Chemical Name:
2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid
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Synonyms:
MLS000777966;CHEMBL1720877;HMS2747B13;ZINC2349628;STL357624;AKOS003250950;MCULE-5566314591;SMR000414360;2-{[(5-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)amino]carbonyl}benzoic acid;2-{[5-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}benzoic acid;498569-12-3;N-{5-[(2,6-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]thiadiazol-2-yl}-phthalamic acid
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CAS No:
2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Basic Attributes
442.5 g/mol
442.07694742 g/mol
Computed Properties
Molecular Weight:442.5
XLogP3:3.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:442.07694742
Monoisotopic Mass:442.07694742
Topological Polar Surface Area:175
Heavy Atom Count:30
Complexity:628
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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