1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
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![1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1e207e9cbef84c7ca1c5e38aef1e0cef.png "1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone")
1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
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CAS No:
871485-63-1
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Formula:
C19H21BrN4OS
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Chemical Name:
1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
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Synonyms:
ZINC2644471;AKOS033942425;MCULE-8674386090;AB00726313-01;Z25470059;1-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{[5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one;871485-63-1
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CAS No:
1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Basic Attributes
433.4 g/mol
432.06195 g/mol
Computed Properties
Molecular Weight:433.4
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:432.06195
Monoisotopic Mass:432.06195
Topological Polar Surface Area:88.9
Heavy Atom Count:26
Complexity:486
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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