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

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

CAS No:
745067-68-9
Formula:
C20H19N3O3S
Chemical Name:
1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrimidin-2-ylsulfanylethanone
Synonyms:
ZINC2639810;AKOS033614207;MCULE-2239308227;SR-01000052016;SR-01000052016-1;Z18380666;1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(pyrimidin-2-ylsulfanyl)ethan-1-one;745067-68-9

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

Molecular Weight：

381.4 g/mol

Exact Mass：

381.11471265 g/mol

Characteristics

PSA：

91.5 Å²

Computed Properties

Molecular Weight:381.4
XLogP3:3.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:381.11471265
Monoisotopic Mass:381.11471265
Topological Polar Surface Area:91.5
Heavy Atom Count:27
Complexity:517
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-pyrimidin-2-ylsulfanylethanone

Basic Attributes
Characteristics
Computed Properties

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