benzyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate
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![benzyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d9259864d2634c35a356693c76f86e06.png "benzyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate")
benzyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate
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CAS No:
202519-90-2
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Formula:
C16H14N2O3S
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Chemical Name:
benzyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate
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Synonyms:
MLS000713937;CHEMBL1419191;HMS1674A19;HMS2648D16;STL352983;ZINC13556783;AKOS000523064;MCULE-4478195291;SMR000273418;SR-01000510624;SR-01000510624-1;benzyl [(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetate;202519-90-2
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CAS No:
benzyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate Basic Attributes
314.4 g/mol
314.07251349 g/mol
Computed Properties
Molecular Weight:314.4
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:314.07251349
Monoisotopic Mass:314.07251349
Topological Polar Surface Area:105
Heavy Atom Count:22
Complexity:565
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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