N-(2,6-dimethylphenyl)-4-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)butanamide
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N-(2,6-dimethylphenyl)-4-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)butanamide
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CAS No:
749872-78-4
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Formula:
C20H20N4OS2
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Chemical Name:
N-(2,6-dimethylphenyl)-4-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)butanamide
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Synonyms:
ZINC2644136;AKOS033737722;MCULE-6670774048;Z20238287;749872-78-4;N-(2,6-dimethylphenyl)-4-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}butanamide
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CAS No:
N-(2,6-dimethylphenyl)-4-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)butanamide Basic Attributes
396.5 g/mol
396.10785362 g/mol
Computed Properties
Molecular Weight:396.5
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:396.10785362
Monoisotopic Mass:396.10785362
Topological Polar Surface Area:113
Heavy Atom Count:27
Complexity:512
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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