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[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate

[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate structure

CAS No:
731800-09-2
Formula:
C21H18N2O6S
Chemical Name:
[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
Synonyms:
SMR000264869;MLS000418074;MLS002634257;ZINC3290785;AKOS033631215;SR-01000047974;SR-01000047974-1;Z18553829;3-[({[3-(ethoxycarbonyl)-5-phenylthiophen-2-yl]carbamoyl}methoxy)carbonyl]pyridin-1-ium-1-olate;731800-09-2

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[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate Basic Attributes

Molecular Weight：

426.4 g/mol

Exact Mass：

426.08855747 g/mol

Characteristics

PSA：

135 Å²

Computed Properties

Molecular Weight:426.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:426.08855747
Monoisotopic Mass:426.08855747
Topological Polar Surface Area:135
Heavy Atom Count:30
Complexity:612
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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