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1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone

1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone structure

CAS No:
744240-36-6
Formula:
C20H18N2O4S
Chemical Name:
1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
Synonyms:
ZINC2635185;AKOS001077392;Z18546330;2-({2-[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)pyridin-1-ium-1-olate;744240-36-6

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1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Basic Attributes

Molecular Weight：

382.4 g/mol

Exact Mass：

382.09872823 g/mol

Characteristics

PSA：

91.2 Å²

Computed Properties

Molecular Weight:382.4
XLogP3:3.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:382.09872823
Monoisotopic Mass:382.09872823
Topological Polar Surface Area:91.2
Heavy Atom Count:27
Complexity:536
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone

Basic Attributes
Characteristics
Computed Properties

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