2-(2,5-dimethylphenyl)sulfanyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
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![2-(2,5-dimethylphenyl)sulfanyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f459f9f21f0a40048bf5a668d877ac7f.png "2-(2,5-dimethylphenyl)sulfanyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide")
2-(2,5-dimethylphenyl)sulfanyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
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CAS No:
796099-74-6
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Formula:
C23H26N4OS
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Chemical Name:
2-(2,5-dimethylphenyl)sulfanyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
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Synonyms:
ZINC3359647;AKOS000946356;MCULE-5082233477;Z33014335;2-[(2,5-dimethylphenyl)sulfanyl]-N-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)acetamide;796099-74-6
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CAS No:
2-(2,5-dimethylphenyl)sulfanyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide Basic Attributes
406.5 g/mol
406.18273264 g/mol
Computed Properties
Molecular Weight:406.5
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:406.18273264
Monoisotopic Mass:406.18273264
Topological Polar Surface Area:85.1
Heavy Atom Count:29
Complexity:539
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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