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

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

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

CAS No:
745024-14-0
Formula:
C17H17N5O3S
Chemical Name:
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]ethanone
Synonyms:
ZINC02637648;MLS000333888;CHEMBL1343349;HMS2581N20;ZINC5931856;AKOS033611327;MCULE-2421647000;SMR000248646;Z18356773;2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one;745024-14-0

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

Molecular Weight：

371.4 g/mol

Exact Mass：

371.10521059 g/mol

Characteristics

PSA：

133 Å²

Computed Properties

Molecular Weight:371.4
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:371.10521059
Monoisotopic Mass:371.10521059
Topological Polar Surface Area:133
Heavy Atom Count:26
Complexity:527
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]ethanone

Basic Attributes
Characteristics
Computed Properties

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