 Home > Encyclopedia > 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone

2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone

2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone structure

CAS No:
735292-43-0
Formula:
C18H17ClF3N5OS
Chemical Name:
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone
Synonyms:
ZINC3278889;AKOS034439915;MCULE-1582412845;Z54311114;2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one;735292-43-0

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2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone Basic Attributes

Molecular Weight：

443.9 g/mol

Exact Mass：

443.0794435 g/mol

Characteristics

PSA：

104 Å²

Computed Properties

Molecular Weight:443.9
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:443.0794435
Monoisotopic Mass:443.0794435
Topological Polar Surface Area:104
Heavy Atom Count:29
Complexity:586
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone

Basic Attributes
Characteristics
Computed Properties

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