 Home > Encyclopedia > 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone

2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone

2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone structure

CAS No:
749873-31-2
Formula:
C21H20FN5OS
Chemical Name:
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
Synonyms:
ZINC2644191;AKOS033772487;MCULE-1772632515;Z21478158;2-({5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)-1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one;749873-31-2

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2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone Basic Attributes

Molecular Weight：

409.5 g/mol

Exact Mass：

409.13725961 g/mol

Characteristics

PSA：

90.4 Å²

Computed Properties

Molecular Weight:409.5
XLogP3:4.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:409.13725961
Monoisotopic Mass:409.13725961
Topological Polar Surface Area:90.4
Heavy Atom Count:29
Complexity:589
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone

Basic Attributes
Characteristics
Computed Properties

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