 Home > Encyclopedia > 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone structure

CAS No:
787562-10-1
Formula:
C19H20N4O3S
Chemical Name:
1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Synonyms:
ZINC3378623;AKOS033712426;MCULE-7199592526;Z19813768;1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one;787562-10-1

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1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Basic Attributes

Molecular Weight：

384.5 g/mol

Exact Mass：

384.12561169 g/mol

Characteristics

PSA：

96.5 Å²

Computed Properties

Molecular Weight:384.5
XLogP3:2.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:384.12561169
Monoisotopic Mass:384.12561169
Topological Polar Surface Area:96.5
Heavy Atom Count:27
Complexity:539
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-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Basic Attributes
Characteristics
Computed Properties

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