 Home > Encyclopedia > 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone structure

CAS No:
761416-89-1
Formula:
C19H21ClN4O2S
Chemical Name:
2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
Synonyms:
ZINC6062186;AKOS033795694;MCULE-5614531435;Z21980007;2-({5-[(4-chloro-3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one;761416-89-1

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2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Basic Attributes

Molecular Weight：

404.9 g/mol

Exact Mass：

404.1073748 g/mol

Characteristics

PSA：

98.1 Å²

Computed Properties

Molecular Weight:404.9
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:404.1073748
Monoisotopic Mass:404.1073748
Topological Polar Surface Area:98.1
Heavy Atom Count:27
Complexity:514
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Basic Attributes
Characteristics
Computed Properties

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