N-[2-[2,4-bis(hydroxymethyl)-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide
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![N-[2-[2,4-bis(hydroxymethyl)-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2bed88f96a6a4c9ca924852f8b14f9fb.png "N-[2-[2,4-bis(hydroxymethyl)-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide")
N-[2-[2,4-bis(hydroxymethyl)-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide
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CAS No:
134793-43-4
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Formula:
C13H11F3N4O4S
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Chemical Name:
N-[2-[2,4-bis(hydroxymethyl)-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide
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Synonyms:
134793-43-4;2,4-Di(hydroxymethyl)-3-thioxo-6-(2-trifluoroacetylaminophenyl)-1,2,4-triazine-5(2H,4H)one;Acetamide, 2,2,2-trifluoro-N-(2-(2,3,4,5-tetrahydro-2,4-bis(hydroxymethyl)-5-oxo-3-thioxo-1,2,4-triazin-6-yl)phenyl)-;Acetamide, 2,2,2-trifluoro-N-[2-[2,3,4,5-tetrahydro-2,4-bis(hydroxymethyl)-5-oxo-3-thioxo-1,2,4-triazin-6-yl]phenyl]-;NSC623090;CHEMBL1967807;DTXSID10928766;ZINC1617156;NSC-623090;NCI60_006880;2,3-Dihydro-2,4-bis(hydroxymethyl)-3-thioxo-6-[2-[(trifluoroacetyl)amino]phenyl]-1,2,4-triazin-5(4H)-one;N-[2-[2,4-bis(hydroxymethyl)-5-oxo-3-thioxo-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoro-acetamide;N-{2-[2,4-Bis(hydroxymethyl)-5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]phenyl}-2,2,2-trifluoroethanimidic acid
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CAS No:
N-[2-[2,4-bis(hydroxymethyl)-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide Basic Attributes
376.31 g/mol
376.04531050 g/mol
623090
Computed Properties
Molecular Weight:376.31
XLogP3:1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:376.04531050
Monoisotopic Mass:376.04531050
Topological Polar Surface Area:138
Heavy Atom Count:25
Complexity:598
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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