2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
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2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
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CAS No:
764694-87-3
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Formula:
C22H21ClN4O3S
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Chemical Name:
2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
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Synonyms:
ZINC2620528;AKOS033929038;MCULE-6429407784;Z24955688;2-{[5-(5-chloro-2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{1-[(furan-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one;764694-87-3
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CAS No:
2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone Basic Attributes
456.9 g/mol
456.1022894 g/mol
Computed Properties
Molecular Weight:456.9
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:456.1022894
Monoisotopic Mass:456.1022894
Topological Polar Surface Area:111
Heavy Atom Count:31
Complexity:617
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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