3,5-dichloro-2-[[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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![3,5-dichloro-2-[[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f2e810764d614479bafbf5ce5b249952.png "3,5-dichloro-2-[[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid")
3,5-dichloro-2-[[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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CAS No:
731793-15-0
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Formula:
C21H14Cl2N4O4S
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Chemical Name:
3,5-dichloro-2-[[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
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Synonyms:
MLS002248157;CHEMBL1474719;HMS3084K10;ZINC3277401;AKOS033739245;MCULE-2711524832;SMR001315635;Z20248655;3,5-dichloro-2-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid;731793-15-0
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CAS No:
3,5-dichloro-2-[[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Basic Attributes
489.3 g/mol
488.0112815 g/mol
Computed Properties
Molecular Weight:489.3
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:488.0112815
Monoisotopic Mass:488.0112815
Topological Polar Surface Area:136
Heavy Atom Count:32
Complexity:672
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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