2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
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![2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/59ccdf2221e84bfcb36ea3b8d0b0b0aa.png "2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid")
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
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CAS No:
721887-05-4
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Formula:
C16H22N2O3S
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Chemical Name:
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
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Synonyms:
MLS000776259;CHEMBL1721138;HMS2752J22;ZINC3287548;AKOS034448682;MCULE-5032692891;SMR000371259;SR-01000037093;SR-01000037093-1;Z55950384;2-{[(cyclooctylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid;721887-05-4
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CAS No:
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Basic Attributes
322.4 g/mol
322.13511374 g/mol
Computed Properties
Molecular Weight:322.4
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:322.13511374
Monoisotopic Mass:322.13511374
Topological Polar Surface Area:105
Heavy Atom Count:22
Complexity:370
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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