3,4-bis(Benzyloxy)-6-[(4-fluorophenyl)ethynyl]pyridazine

HCID 71270241
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Basic information

Standard SMILES
Fc1ccc(C#Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1
InChIKey
MKDZZQDEUQTYAK-UHFFFAOYSA-N
Molecular formula
C26H19FN2O2
Average molar mass
410.4 g/mol
Monoisotopic mass
410.14305602

Names & identifiers

Preferred name
3,4-bis(Benzyloxy)-6-[(4-fluorophenyl)ethynyl]pyridazine
IUPAC
6-[2-(4-fluorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine

Names & synonyms

SCHEMBL14719169MKDZZQDEUQTYAK-UHFFFAOYSA-N3,4-bis(Benzyloxy)-6-[(4-fluorophenyl)ethynyl]pyridazine

Database identifiers

PubChem CID
71270241

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
44.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
31

Related reactions

2 records
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Compound notes

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