2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
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![2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/742208a1062e42f29a5c30aeec749b03.png "2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone")
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
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CAS No:
734544-03-7
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Formula:
C18H15ClN4O3S
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Chemical Name:
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
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Synonyms:
ZINC3312834;AKOS034438122;MCULE-8633207442;AB00762574-01;Z53790516;2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one;734544-03-7
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CAS No:
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Basic Attributes
402.9 g/mol
402.0553392 g/mol
Computed Properties
Molecular Weight:402.9
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:402.0553392
Monoisotopic Mass:402.0553392
Topological Polar Surface Area:118
Heavy Atom Count:27
Complexity:523
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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