1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
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![1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/225c77bea3d247dc9d5933dfbf6e9141.png "1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone")
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
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CAS No:
771498-17-0
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Formula:
C26H26N4O3S
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Chemical Name:
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
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Synonyms:
ZINC2628535;AKOS033717069;MCULE-3441271064;Z19865100;1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one;771498-17-0
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CAS No:
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Basic Attributes
474.6 g/mol
474.17256188 g/mol
Computed Properties
Molecular Weight:474.6
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:474.17256188
Monoisotopic Mass:474.17256188
Topological Polar Surface Area:115
Heavy Atom Count:34
Complexity:696
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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