[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-bromobenzoate
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![[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-bromobenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b2829764b831449b90ab9538dac99271.png "[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-bromobenzoate")
[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-bromobenzoate
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CAS No:
729582-45-0
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Formula:
C18H15BrN2O3S
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Chemical Name:
[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-bromobenzoate
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Synonyms:
ZINC3290435;AKOS002504283;MCULE-3542676509;AB00717099-01;Z19669532;[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-bromobenzoate;729582-45-0
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CAS No:
[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-bromobenzoate Basic Attributes
419.3 g/mol
417.99868 g/mol
Computed Properties
Molecular Weight:419.3
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:417.99868
Monoisotopic Mass:417.99868
Topological Polar Surface Area:107
Heavy Atom Count:25
Complexity:564
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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