[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
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![[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0c3a4104d8bf4453947da1ba93634e9b.png "[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate")
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
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CAS No:
380188-45-4
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Formula:
C20H15ClN2O3S
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Chemical Name:
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
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Synonyms:
ZINC3238819;AKOS002486881;MCULE-6511312136;Z18785163;[(2-cyanoethyl)(phenyl)carbamoyl]methyl 3-chloro-1-benzothiophene-2-carboxylate;380188-45-4
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CAS No:
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Basic Attributes
398.9 g/mol
398.0491912 g/mol
Computed Properties
Molecular Weight:398.9
XLogP3:4.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:398.0491912
Monoisotopic Mass:398.0491912
Topological Polar Surface Area:98.6
Heavy Atom Count:27
Complexity:587
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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