[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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![[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e9edb24fa86d4b9e98cea3511ac83def.png "[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
749891-76-7
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Formula:
C22H28N2O5S
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Chemical Name:
[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC2652914;AKOS033771693;MCULE-2545492414;Z21458534;2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;749891-76-7
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CAS No:
[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
432.5 g/mol
432.17189317 g/mol
Computed Properties
Molecular Weight:432.5
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:432.17189317
Monoisotopic Mass:432.17189317
Topological Polar Surface Area:115
Heavy Atom Count:30
Complexity:645
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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