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

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

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

CAS No:
730988-38-2
Formula:
C21H21FN4O2S
Chemical Name:
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Synonyms:
ZINC3284180;AKOS033904768;MCULE-8016919147;Z24178624;1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-{[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one;730988-38-2

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

Molecular Weight：

412.5 g/mol

Exact Mass：

412.13692526 g/mol

Characteristics

PSA：

106 Å²

Computed Properties

Molecular Weight:412.5
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:412.13692526
Monoisotopic Mass:412.13692526
Topological Polar Surface Area:106
Heavy Atom Count:29
Complexity:622
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: 1 chlorobutane; magnesium pyrophosphate formula; methyl ethyl ketoxime; morpholine; 1 3 bisphosphoglycerate; sulfur trioxide formula

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

Basic Attributes
Characteristics
Computed Properties

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