3,4-Bis(benzyloxy)-6-[2-(4-fluoro-3-methylphenyl)ethynyl]pyridazine

HCID 71270369
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Basic information

Standard SMILES
Cc1cc(C#Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)ccc1F
InChIKey
MNYHTHFCFGJYLK-UHFFFAOYSA-N
Molecular formula
C27H21FN2O2
Average molar mass
424.5 g/mol
Monoisotopic mass
424.15870608

Names & identifiers

Preferred name
3,4-Bis(benzyloxy)-6-[2-(4-fluoro-3-methylphenyl)ethynyl]pyridazine
IUPAC
6-[2-(4-fluoro-3-methylphenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine

Names & synonyms

SCHEMBL14719379MNYHTHFCFGJYLK-UHFFFAOYSA-N3,4-bis(Benzyloxy)-6-[2-(4-fluoro-3-methylphenyl)-ethynyl]pyridazine3,4-bis(benzyloxy)-6-[2-(4-fluoro-3-methylphenyl)ethynyl]pyridazine

Database identifiers

PubChem CID
71270369

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
44.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
32

Related reactions

2 records
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Linked notes

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