2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
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![2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b1645e42102642dd8cd2b96c9d10fc5f.png "2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide")
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
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CAS No:
803720-77-6
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Formula:
C18H15F2N5O3S
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Chemical Name:
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
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Synonyms:
ZINC3349973;AKOS033694227;MCULE-4090339937;Z19597612;2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)acetamide;803720-77-6
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CAS No:
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide Basic Attributes
419.4 g/mol
419.08636686 g/mol
Computed Properties
Molecular Weight:419.4
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:419.08636686
Monoisotopic Mass:419.08636686
Topological Polar Surface Area:130
Heavy Atom Count:29
Complexity:596
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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