2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
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![2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/475959f93d574b37a02d7a2efc9d3a04.png "2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid")
2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
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CAS No:
126598-25-2
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Formula:
C19H13ClN4O4S
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Chemical Name:
2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
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CAS No:
2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid Basic Attributes
428.84900
428.0346038
Computed Properties
Molecular Weight:428.8
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:428.0346038
Monoisotopic Mass:428.0346038
Topological Polar Surface Area:124
Heavy Atom Count:29
Complexity:662
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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