3,4-bis(Benzyloxy)-6-[2-(3,4-difluorophenyl)ethynyl]pyridazine

HCID 71270222
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Basic information

Standard SMILES
Fc1ccc(C#Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1F
InChIKey
FBNOTLDWEQBXPO-UHFFFAOYSA-N
Molecular formula
C26H18F2N2O2
Average molar mass
428.4 g/mol
Monoisotopic mass
428.13363415

Names & identifiers

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

Names & synonyms

SCHEMBL14719133FBNOTLDWEQBXPO-UHFFFAOYSA-N3,4-bis(Benzyloxy)-6-[2-(3,4-difluorophenyl)ethynyl]pyridazine

Database identifiers

PubChem CID
71270222

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
44.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
32

Related reactions

1 records
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Compound notes

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