1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
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1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
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CAS No:
771514-14-8
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Formula:
C22H20N4O2S2
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Chemical Name:
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
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Synonyms:
ZINC2616611;AKOS033670635;MCULE-8584010979;Z19280733;1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one;771514-14-8
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CAS No:
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Basic Attributes
436.6 g/mol
436.10276824 g/mol
Computed Properties
Molecular Weight:436.6
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:436.10276824
Monoisotopic Mass:436.10276824
Topological Polar Surface Area:134
Heavy Atom Count:30
Complexity:630
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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