[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cdaf191df50a4a9aa97a3a503a763de0.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
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CAS No:
565443-47-2
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Formula:
C18H17N3O4S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
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Synonyms:
ZINC2619969;AKOS033631214;Z18553828;3-{[({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methoxy]carbonyl}pyridin-1-ium-1-olate;565443-47-2
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate Basic Attributes
371.4 g/mol
371.09397721 g/mol
Computed Properties
Molecular Weight:371.4
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:371.09397721
Monoisotopic Mass:371.09397721
Topological Polar Surface Area:133
Heavy Atom Count:26
Complexity:578
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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