ethyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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ethyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
307512-37-4
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Formula:
C19H20N4O3S2
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Chemical Name:
ethyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;307512-37-4;ZINC1465633;CCG-23860;AKOS001036166;MCULE-7565201867;ethyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;UPCMLD0ENAT0503-3618:001;ST50050613;SR-01000112905;SR-01000112905-1;F0825-0251;ethyl 2-(2-(4-hydro-1,2,4-triazolo[4,5-a]pyridin-3-ylthio)acetylamino)-4,5,6,7 -tetrahydrobenzo[b]thiophene-3-carboxylate;ethyl 2-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
ethyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
416.5 g/mol
416.09768286 g/mol
Computed Properties
Molecular Weight:416.5
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:416.09768286
Monoisotopic Mass:416.09768286
Topological Polar Surface Area:139
Heavy Atom Count:28
Complexity:581
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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