 Home > Encyclopedia > 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone

2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone

2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone structure

CAS No:
757226-90-7
Formula:
C20H21ClN4O2S
Chemical Name:
2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone
Synonyms:
ZINC6060511;AKOS033929037;MCULE-4796022234;AB00725540-01;Z24955687;2-{[5-(5-chloro-2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[2,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-3-yl]ethan-1-one;757226-90-7

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2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone Basic Attributes

Molecular Weight：

416.9 g/mol

Exact Mass：

416.1073748 g/mol

Characteristics

PSA：

98.1 Å²

Computed Properties

Molecular Weight:416.9
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:416.1073748
Monoisotopic Mass:416.1073748
Topological Polar Surface Area:98.1
Heavy Atom Count:28
Complexity:554
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone

Basic Attributes
Characteristics
Computed Properties

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