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2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
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![2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ee1e0a5f168c45f0b164128aa6d3b425.png "2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone")
2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
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CAS No:
731000-12-7
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Formula:
C22H19BrN4O2S
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Chemical Name:
2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
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Synonyms:
ZINC3287888;AKOS000861892;MCULE-2900737342;Z18667827;2-{[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-pyrrol-2-yl)ethan-1-one;731000-12-7
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CAS No:
2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Basic Attributes
483.4 g/mol
482.04121 g/mol
Computed Properties
Molecular Weight:483.4
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:482.04121
Monoisotopic Mass:482.04121
Topological Polar Surface Area:98.1
Heavy Atom Count:30
Complexity:555
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
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