[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
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![[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/69c2480cd9d64850bf1392731bc9042d.png "[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate")
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
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CAS No:
380178-21-2
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Formula:
C17H16N2O5S
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Chemical Name:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
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Synonyms:
380178-21-2;Oprea1_687553;MLS001001973;CHEMBL1332786;HMS2586P09;ZINC3218217;AKOS002485542;MCULE-6547863124;SMR000353312;Z18837874;{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate;2-((Benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
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CAS No:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Basic Attributes
360.4 g/mol
360.07799279 g/mol
Computed Properties
Molecular Weight:360.4
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:360.07799279
Monoisotopic Mass:360.07799279
Topological Polar Surface Area:112
Heavy Atom Count:25
Complexity:478
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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