2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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![2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f95fe0ec60fc4d68b94a39ec0c6d9837.png "2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide")
2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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CAS No:
694474-44-7
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Formula:
C18H17N3O5S2
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Chemical Name:
2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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Synonyms:
HMS3430K09;ZINC2841617;CCG-24625;STK134742;AKOS000457365;MCULE-6247890899;AP-853/42000791;Z25628926;2-[2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;694474-44-7
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CAS No:
2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Basic Attributes
419.5 g/mol
419.06096300 g/mol
Computed Properties
Molecular Weight:419.5
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:419.06096300
Monoisotopic Mass:419.06096300
Topological Polar Surface Area:163
Heavy Atom Count:28
Complexity:781
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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