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

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

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

CAS No:
796117-04-9
Formula:
C22H20N4O3S2
Chemical Name:
1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Synonyms:
ZINC3323490;AKOS033683723;MCULE-6222634016;Z19451010;1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-{[5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one;796117-04-9

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

Molecular Weight：

452.6 g/mol

Exact Mass：

452.09768286 g/mol

Characteristics

PSA：

136 Å²

Computed Properties

Molecular Weight:452.6
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:452.09768286
Monoisotopic Mass:452.09768286
Topological Polar Surface Area:136
Heavy Atom Count:31
Complexity:644
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-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Basic Attributes
Characteristics
Computed Properties

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