methyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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![methyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3d5819a0e425480fb176ad2e3154c657.png "methyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
methyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
501348-59-0
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Formula:
C19H19N5O3S2
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Chemical Name:
methyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
501348-59-0;methyl 2-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;methyl 2-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;SMR000062256;MLS000054159;MLS002634016;CHEMBL1302133;HMS2281L08;ZINC2887439;STL011923;AKOS000807614;MCULE-2847859404;methyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ST50133638;F1142-1070;methyl 2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;methyl 2-[2-(1-phenyl-1,2,3,4-tetraazol-5-ylthio)acetylamino]-4,5,6,7-tetrahyd robenzo[b]thiophene-3-carboxylate
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CAS No:
methyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
429.5 g/mol
429.09293183 g/mol
Computed Properties
Molecular Weight:429.5
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:429.09293183
Monoisotopic Mass:429.09293183
Topological Polar Surface Area:153
Heavy Atom Count:29
Complexity:592
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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