[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/361722a6e0584249bb473ca8a1bd2aba.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
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CAS No:
568577-35-5
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Formula:
C17H15BrN2O4S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
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Synonyms:
ZINC3334880;AKOS001061730;MCULE-6177374337;Z18368344;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 5-bromofuran-2-carboxylate;568577-35-5
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate Basic Attributes
423.3 g/mol
421.99359 g/mol
Computed Properties
Molecular Weight:423.3
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:421.99359
Monoisotopic Mass:421.99359
Topological Polar Surface Area:121
Heavy Atom Count:25
Complexity:566
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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