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ethyl 2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate

ethyl 2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate structure

CAS No:
750630-08-1
Formula:
C16H16N2O4S
Chemical Name:
ethyl 2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate
Synonyms:
MLS000566020;CHEMBL1305738;HMS2190M03;ZINC2657149;AKOS033630727;SMR000153106;AB00456750-04;SR-01000053554;SR-01000053554-1;Z18546677;2-[({[2-(ethoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]pyridin-1-ium-1-olate;750630-08-1

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ethyl 2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate Basic Attributes

Molecular Weight：

332.4 g/mol

Exact Mass：

332.08307817 g/mol

Characteristics

PSA：

106 Å²

Computed Properties

Molecular Weight:332.4
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:332.08307817
Monoisotopic Mass:332.08307817
Topological Polar Surface Area:106
Heavy Atom Count:23
Complexity:408
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate

Basic Attributes
Characteristics
Computed Properties
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