3-(1,4-Diazabicyclo(3.2.2)nonan-4-YL)-6-(fluoro-18F)dibenzo(B,D)-thiophene 5,5-dioxide
3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(18F)fluorodibenzothiophene 5,5-dioxide
Molecular Identity
3-(1,4-Diazabicyclo(3.2.2)nonan-4-YL)-6-(fluoro-18F)dibenzo(B,D)-thiophene 5,5-dioxide
3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(18F)fluorodibenzothiophene 5,5-dioxide
PubChem CID: 72703475
2D Structure
Properties
C19H19FN2O2S
Molecular Formula
357.40
Molecular Weight
g/mol
357.1177
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
49
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
613
Complexity
SMILES
Canonical SMILES
SMILES: C1CN2CCC1N(CC2)C3=CC4=C(C=C3)C5=C(S4(=O)=O)C(=CC=C5)FIsomeric SMILES
SMILES: C1CN2CCC1N(CC2)C3=CC4=C(C=C3)C5=C(S4(=O)=O)C(=CC=C5)[18F]Synonyms(14)
Asem F-18QES72O8Q5WUNII-QES72O8Q5W3-(1,4-diazabicyclo(3.2.2)nonan-4-yl)-6-(fluoro-18f)dibenzo(b,D)-thiophene 5,5-dioxideRefChem:198165(18F)Asem1456878-52-6[18F]ASEMF-18-ASEMorb1738881CHEMBL3235491SCHEMBL29393509SB17432Q27287222
Data from PubChem (NCBI)
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Molecular Structure
3-(1,4-Diazabicyclo(3.2.2)nonan-4-YL)-6-(fluoro-18F)dibenzo(B,D)-thiophene 5,5-dioxide
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Drug Network
Trials and conditions connected to 3-(1,4-Diazabicyclo(3.2.2)nonan-4-YL)-6-(fluoro-18F)dibenzo(B,D)-thiophene 5,5-dioxide
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