[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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![[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e42284d1948d4cefb802d3b8421f0896.png "[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
749896-29-5
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Formula:
C21H21NO6S
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Chemical Name:
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC2653442;AKOS033771736;MCULE-6099060966;Z21459309;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;749896-29-5
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CAS No:
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
415.5 g/mol
415.10895856 g/mol
Computed Properties
Molecular Weight:415.5
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:415.10895856
Monoisotopic Mass:415.10895856
Topological Polar Surface Area:119
Heavy Atom Count:29
Complexity:643
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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