 Home > Encyclopedia > 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone structure

CAS No:
796054-38-1
Formula:
C26H24N4O4S
Chemical Name:
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Synonyms:
SMR000154188;MLS000567649;MLS002635349;CHEMBL1612993;HMS2293A16;ZINC3336089;AKOS002445712;MCULE-5190625796;Z15910815;1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-({4-[(2H-1,3-benzodioxol-5-yl)methyl]-5-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one;796054-38-1

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1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Basic Attributes

Molecular Weight：

488.6 g/mol

Exact Mass：

488.15182643 g/mol

Characteristics

PSA：

124 Å²

Computed Properties

Molecular Weight:488.6
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:488.15182643
Monoisotopic Mass:488.15182643
Topological Polar Surface Area:124
Heavy Atom Count:35
Complexity:766
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Basic Attributes
Characteristics
Computed Properties

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