 Home > Encyclopedia > 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone structure

CAS No:
802948-44-3
Formula:
C24H22N4O3S
Chemical Name:
1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Synonyms:
ZINC3170490;AKOS033646062;MCULE-1242403553;Z18847135;1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one;802948-44-3

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1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Basic Attributes

Molecular Weight：

446.5 g/mol

Exact Mass：

446.14126175 g/mol

Characteristics

PSA：

96.5 Å²

Computed Properties

Molecular Weight:446.5
XLogP3:4.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:446.14126175
Monoisotopic Mass:446.14126175
Topological Polar Surface Area:96.5
Heavy Atom Count:32
Complexity:649
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Basic Attributes
Characteristics
Computed Properties

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