methyl 2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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methyl 2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
314261-23-9
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Formula:
C20H18N4O3S3
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Chemical Name:
methyl 2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
methyl 2-{[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ChemDiv1_005096;HMS601H14;ZINC2083161;STL305340;AKOS001051648;MCULE-3241139425;UPCMLD0ENAT0513-4733:001;AF-399/15031065;SR-01000446498;SR-01000446498-1;Z20238011;314261-23-9;methyl 2-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;methyl 2-{[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
methyl 2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
458.6 g/mol
458.05410397 g/mol
Computed Properties
Molecular Weight:458.6
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:458.05410397
Monoisotopic Mass:458.05410397
Topological Polar Surface Area:167
Heavy Atom Count:30
Complexity:671
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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