 Home > Encyclopedia > 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone

1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone

1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone structure

CAS No:
744230-95-3
Formula:
C21H20N2O4S
Chemical Name:
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
Synonyms:
ZINC2634510;AKOS033630697;Z18546329;2-({2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)pyridin-1-ium-1-olate;744230-95-3

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1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Basic Attributes

Molecular Weight：

396.5 g/mol

Exact Mass：

396.11437830 g/mol

Characteristics

PSA：

91.2 Å²

Computed Properties

Molecular Weight:396.5
XLogP3:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:396.11437830
Monoisotopic Mass:396.11437830
Topological Polar Surface Area:91.2
Heavy Atom Count:28
Complexity:551
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone

Basic Attributes
Characteristics
Computed Properties

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