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

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

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

CAS No:
771507-83-6
Formula:
C19H21BrN4O2S
Chemical Name:
2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone
Synonyms:
ZINC2629027;AKOS033935532;MCULE-7327086271;AB00726759-01;Z25190673;2-{[5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one;771507-83-6

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

Molecular Weight：

449.4 g/mol

Exact Mass：

448.05686 g/mol

Characteristics

PSA：

98.1 Å²

Computed Properties

Molecular Weight:449.4
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:448.05686
Monoisotopic Mass:448.05686
Topological Polar Surface Area:98.1
Heavy Atom Count:27
Complexity:500
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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