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

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

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

CAS No:
731839-34-2
Formula:
C24H21FN4O2S
Chemical Name:
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Synonyms:
ZINC3308981;AKOS033903812;MCULE-9047572964;Z24161653;1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-{[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one;731839-34-2

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

Molecular Weight：

448.5 g/mol

Exact Mass：

448.13692526 g/mol

Characteristics

PSA：

106 Å²

Computed Properties

Molecular Weight:448.5
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:448.13692526
Monoisotopic Mass:448.13692526
Topological Polar Surface Area:106
Heavy Atom Count:32
Complexity:676
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-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Basic Attributes
Characteristics
Computed Properties

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