1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
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![1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/db98aa7d64ed42779f322cc32f3d17a9.png "1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone")
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
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CAS No:
782461-51-2
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Formula:
C25H23ClN4O2S
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Chemical Name:
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
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Synonyms:
ZINC2627624;AKOS002442549;MCULE-1451437491;Z15588622;1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-{[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one;782461-51-2
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CAS No:
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Basic Attributes
479.0 g/mol
478.1230249 g/mol
Computed Properties
Molecular Weight:479.0
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:478.1230249
Monoisotopic Mass:478.1230249
Topological Polar Surface Area:106
Heavy Atom Count:33
Complexity:691
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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