butyl 4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate
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![butyl 4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fccaa49d4ae842eda584cf2b6fa59739.png "butyl 4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate")
butyl 4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate
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CAS No:
734534-68-0
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Formula:
C18H20N2O4S
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Chemical Name:
butyl 4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate
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Synonyms:
ZINC3361399;AKOS017003842;AB00719649-01;SR-01000043582;SR-01000043582-1;Z18545769;2-[({[4-(butoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]pyridin-1-ium-1-olate;734534-68-0
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CAS No:
butyl 4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate Basic Attributes
360.4 g/mol
360.11437830 g/mol
Computed Properties
Molecular Weight:360.4
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:360.11437830
Monoisotopic Mass:360.11437830
Topological Polar Surface Area:106
Heavy Atom Count:25
Complexity:427
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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