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ethyl 5-chloro-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate

ethyl 5-chloro-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate structure

CAS No:
728922-55-2
Formula:
C20H17ClN2O4S2
Chemical Name:
ethyl 5-chloro-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate
Synonyms:
ZINC3299508;AKOS000856875;Z18545826;2-[({[5-chloro-3-(ethoxycarbonyl)-4-phenylthiophen-2-yl]carbamoyl}methyl)sulfanyl]pyridin-1-ium-1-olate;728922-55-2

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ethyl 5-chloro-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Basic Attributes

Molecular Weight：

448.9 g/mol

Exact Mass：

448.0318271 g/mol

Characteristics

PSA：

134 Å²

Computed Properties

Molecular Weight:448.9
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:448.0318271
Monoisotopic Mass:448.0318271
Topological Polar Surface Area:134
Heavy Atom Count:29
Complexity:565
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 5-chloro-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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