3-[[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]sulfamoyl]benzoic acid
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![3-[[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]sulfamoyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5df8472746ce4f8ba9c0689f70e72f6f.png "3-[[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]sulfamoyl]benzoic acid")
3-[[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]sulfamoyl]benzoic acid
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CAS No:
730984-34-6
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Formula:
C20H20N4O4S
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Chemical Name:
3-[[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]sulfamoyl]benzoic acid
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Synonyms:
ZINC3300407;AKOS034375423;MCULE-4931591797;Z45717359;3-[(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)sulfamoyl]benzoic acid;730984-34-6
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CAS No:
3-[[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]sulfamoyl]benzoic acid Basic Attributes
412.5 g/mol
412.12052631 g/mol
Computed Properties
Molecular Weight:412.5
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:412.12052631
Monoisotopic Mass:412.12052631
Topological Polar Surface Area:123
Heavy Atom Count:29
Complexity:675
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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