N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
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![N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3c1de6b920504839a6446d4f9e153dd3.png "N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide")
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
structure -
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CAS No:
315678-19-4
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Formula:
C20H17N5OS3
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Chemical Name:
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
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Synonyms:
ZINC1895129;STL305704;AKOS001063395;MCULE-8056389956;ST50049919;Z20238168;315678-19-4;N-(3-cyano(4,5,6,7,8-pentahydrocyclohepta[1,2-d]thiophen-2-yl))-2-(4-hydro-1,2 ,4-triazolo[3,4-b]benzothiazol-3-ylthio)acetamide;N-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIEN-2-YL)-2-([1,2,4]TRIAZOLO[3,4-B][1,3]BENZOTHIAZOL-3-YLSULFANYL)ACETAMIDE;N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide;N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamide
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CAS No:
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide Basic Attributes
439.6 g/mol
439.05952370 g/mol
Computed Properties
Molecular Weight:439.6
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:439.05952370
Monoisotopic Mass:439.05952370
Topological Polar Surface Area:165
Heavy Atom Count:29
Complexity:672
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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