[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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![[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e09b177fd3ad4ac7af857eb13d290aff.png "[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
784168-94-1
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Formula:
C22H26N2O6S
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Chemical Name:
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC2651459;AKOS033771650;MCULE-1996560207;Z21457281;{[(3,4-dimethoxyphenyl)methyl]carbamoyl}methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;784168-94-1
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CAS No:
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
446.5 g/mol
446.15115773 g/mol
Computed Properties
Molecular Weight:446.5
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:446.15115773
Monoisotopic Mass:446.15115773
Topological Polar Surface Area:131
Heavy Atom Count:31
Complexity:648
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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