3,4-bis(Benzyloxy)-6-{2-[5-(trifluoromethyl)pyridin-3-yl]ethynyl}pyridazine

HCID 71270353
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Basic information

Standard SMILES
FC(F)(F)c1cncc(C#Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)c1
InChIKey
BXEMYIAKYXQQJX-UHFFFAOYSA-N
Molecular formula
C26H18F3N3O2
Average molar mass
461.4 g/mol
Monoisotopic mass
461.13511131

Names & identifiers

Preferred name
3,4-bis(Benzyloxy)-6-{2-[5-(trifluoromethyl)pyridin-3-yl]ethynyl}pyridazine
IUPAC
3,4-bis(phenylmethoxy)-6-[2-[5-(trifluoromethyl)-3-pyridinyl]ethynyl]pyridazine

Names & synonyms

3,4-bis(Benzyloxy)-6-{2-[5-(trifluoromethyl)pyridin-3-yl]ethynyl}pyridazineSCHEMBL14719354

Database identifiers

PubChem CID
71270353

Properties

Computed structural properties

XLogP
5
Topological polar surface area
57.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
34

Related reactions

4 records
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Compound notes

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