2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
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![2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f09de0f0b13642f4a06837a04bd0751c.png "2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide")
2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
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CAS No:
763087-29-2
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Formula:
C21H22N4O4S
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Chemical Name:
2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
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Synonyms:
ZINC2624134;AKOS033450425;MCULE-2033979000;AB00726001-01;Z15911187;2-({4-[(2H-1,3-benzodioxol-5-yl)methyl]-5-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxyethyl)acetamide;763087-29-2
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CAS No:
2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide Basic Attributes
426.5 g/mol
426.13617637 g/mol
Computed Properties
Molecular Weight:426.5
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:426.13617637
Monoisotopic Mass:426.13617637
Topological Polar Surface Area:113
Heavy Atom Count:30
Complexity:551
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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