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

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

CAS No:
557755-40-5
Formula:
C20H18N2O4S2
Chemical Name:
ethyl 2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxylate
Synonyms:
ZINC3318131;AKOS033630644;SR-01000048297;SR-01000048297-1;Z18545716;2-[({[3-(ethoxycarbonyl)-5-phenylthiophen-2-yl]carbamoyl}methyl)sulfanyl]pyridin-1-ium-1-olate;557755-40-5

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

Molecular Weight：

414.5 g/mol

Exact Mass：

414.07079941 g/mol

Characteristics

PSA：

134 Å²

Computed Properties

Molecular Weight:414.5
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:414.07079941
Monoisotopic Mass:414.07079941
Topological Polar Surface Area:134
Heavy Atom Count:28
Complexity:530
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]-5-phenylthiophene-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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