1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
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![1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3287d9f615464156be91b4fdb41079a2.png "1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone")
1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
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CAS No:
756828-54-3
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Formula:
C15H16N4O2S
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Chemical Name:
1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
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Synonyms:
ZINC2662079;AKOS025141439;MCULE-3467551385;Z18740763;1-[1-(2-furylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4H-1,2,4-triazol-3-ylthio)ethanone;1-{1-[(furan-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethan-1-one;756828-54-3
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CAS No:
1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Basic Attributes
316.4 g/mol
316.09939694 g/mol
Computed Properties
Molecular Weight:316.4
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:316.09939694
Monoisotopic Mass:316.09939694
Topological Polar Surface Area:102
Heavy Atom Count:22
Complexity:398
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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