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1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-quinolin-2-ylsulfanylethanone

1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-quinolin-2-ylsulfanylethanone structure

CAS No:
748017-39-2
Formula:
C25H22N2O3S
Chemical Name:
1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-quinolin-2-ylsulfanylethanone
Synonyms:
ZINC13526469;AKOS033697633;MCULE-6531908004;Z19647292;1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(quinolin-2-ylsulfanyl)ethan-1-one;748017-39-2

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1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-quinolin-2-ylsulfanylethanone Basic Attributes

Molecular Weight：

430.5 g/mol

Exact Mass：

430.13511374 g/mol

Characteristics

PSA：

78.6 Å²

Computed Properties

Molecular Weight:430.5
XLogP3:5.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:430.13511374
Monoisotopic Mass:430.13511374
Topological Polar Surface Area:78.6
Heavy Atom Count:31
Complexity:634
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-quinolin-2-ylsulfanylethanone

Basic Attributes
Characteristics
Computed Properties

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