[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
744235-06-1
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Formula:
C22H23N3O4S
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Chemical Name:
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC2634893;AKOS033771955;MCULE-5957866639;Z21466056;[(2-cyanoethyl)(phenyl)carbamoyl]methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;744235-06-1
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CAS No:
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
425.5 g/mol
425.14092740 g/mol
Computed Properties
Molecular Weight:425.5
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:425.14092740
Monoisotopic Mass:425.14092740
Topological Polar Surface Area:128
Heavy Atom Count:30
Complexity:685
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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