4-[3-(2-anilino-2-oxoethyl)sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-yl]benzoic acid
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![4-[3-(2-anilino-2-oxoethyl)sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/58e2c50079a543e196a27557fa5235c6.png "4-[3-(2-anilino-2-oxoethyl)sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-yl]benzoic acid")
4-[3-(2-anilino-2-oxoethyl)sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-yl]benzoic acid
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CAS No:
799828-35-6
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Formula:
C21H16N4O4S
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Chemical Name:
4-[3-(2-anilino-2-oxoethyl)sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-yl]benzoic acid
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Synonyms:
Oprea1_582837;ZINC2240561;STK333658;AKOS005440003;MCULE-7202525196;4-[3-(furan-2-yl)-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-4-yl]benzoic acid;799828-35-6
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CAS No:
4-[3-(2-anilino-2-oxoethyl)sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-yl]benzoic acid Basic Attributes
420.4 g/mol
420.08922618 g/mol
Computed Properties
Molecular Weight:420.4
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:420.08922618
Monoisotopic Mass:420.08922618
Topological Polar Surface Area:136
Heavy Atom Count:30
Complexity:596
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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