[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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![[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3c7d45ace4504b3f8ba1e4b791e9e387.png "[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
742089-24-3
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Formula:
C24H27N3O4S
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Chemical Name:
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC3310311;AKOS000904837;MCULE-9419778200;Z21458280;[(2-cyanoethyl)(3,5-dimethylphenyl)carbamoyl]methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;742089-24-3
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CAS No:
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
453.6 g/mol
453.17222752 g/mol
Computed Properties
Molecular Weight:453.6
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:453.17222752
Monoisotopic Mass:453.17222752
Topological Polar Surface Area:128
Heavy Atom Count:32
Complexity:741
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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