3-Benzyloxymethyl-5-biphenyl-4-yl-4-(2-fluorophenyl)-4H-1,2,4-triazole

HCID 22019230
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Basic information

Standard SMILES
Fc1ccccc1-n1c(COCc2ccccc2)nnc1-c1ccc(-c2ccccc2)cc1
InChIKey
LWHOSNIGLPYRQI-UHFFFAOYSA-N
Molecular formula
C28H22FN3O
Average molar mass
435.5 g/mol
Monoisotopic mass
435.1746905

Names & identifiers

Preferred name
3-Benzyloxymethyl-5-biphenyl-4-yl-4-(2-fluorophenyl)-4H-1,2,4-triazole
IUPAC
4-(2-fluorophenyl)-3-(phenylmethoxymethyl)-5-(4-phenylphenyl)-1,2,4-triazole

Names & synonyms

SCHEMBL5832141LWHOSNIGLPYRQI-UHFFFAOYSA-N3-Benzyloxymethyl-5-biphenyl-4-yl-4-(2-fluorophenyl)-4H-1,2,4-triazole

Database identifiers

PubChem CID
22019230

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
39.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
33

Related reactions

4 records
New reaction record

Compound notes

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