 Home > Encyclopedia > 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone

2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone

2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone structure

CAS No:
775308-08-2
Formula:
C21H19BrN4O2S
Chemical Name:
2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
Synonyms:
ZINC2726150;AKOS033942303;MCULE-7615366267;Z25465187;2-{[5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{1-[(furan-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one;775308-08-2

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2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone Basic Attributes

Molecular Weight：

471.4 g/mol

Exact Mass：

470.04121 g/mol

Characteristics

PSA：

102 Å²

Computed Properties

Molecular Weight:471.4
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:470.04121
Monoisotopic Mass:470.04121
Topological Polar Surface Area:102
Heavy Atom Count:29
Complexity:563
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone

Basic Attributes
Characteristics
Computed Properties

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