 Home > Encyclopedia > 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]ethanone

1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]ethanone

1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]ethanone structure

CAS No:
783316-14-3
Formula:
C23H20ClN3O3S
Chemical Name:
1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]ethanone
Synonyms:
ZINC12542217;AKOS034440852;MCULE-5496124170;Z54461006;1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-[(6-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-one;783316-14-3

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1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]ethanone Basic Attributes

Molecular Weight：

453.9 g/mol

Exact Mass：

453.0913904 g/mol

Characteristics

PSA：

94.4 Å²

Computed Properties

Molecular Weight:453.9
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:453.0913904
Monoisotopic Mass:453.0913904
Topological Polar Surface Area:94.4
Heavy Atom Count:31
Complexity:658
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-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]ethanone

Basic Attributes
Characteristics
Computed Properties

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