1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
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1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
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CAS No:
782461-52-3
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Formula:
C23H25ClN4O2S
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Chemical Name:
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
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Synonyms:
ZINC2627625;AKOS002442912;MCULE-8055098873;Z15586938;1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-{[5-(2-chlorophenyl)-4-cyclopentyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one;782461-52-3
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CAS No:
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Basic Attributes
457.0 g/mol
456.1386749 g/mol
Computed Properties
Molecular Weight:457.0
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:456.1386749
Monoisotopic Mass:456.1386749
Topological Polar Surface Area:106
Heavy Atom Count:31
Complexity:662
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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