3,4-Bis(benzyloxy)-6-{2-[3-(trifluoromethyl)phenyl]ethynyl}pyridazine

HCID 71270335
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Basic information

Standard SMILES
FC(F)(F)c1cccc(C#Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)c1
InChIKey
VZDJJNGZVWDUGN-UHFFFAOYSA-N
Molecular formula
C27H19F3N2O2
Average molar mass
460.4 g/mol
Monoisotopic mass
460.13986234

Names & identifiers

Preferred name
3,4-Bis(benzyloxy)-6-{2-[3-(trifluoromethyl)phenyl]ethynyl}pyridazine
IUPAC
3,4-bis(phenylmethoxy)-6-[2-[3-(trifluoromethyl)phenyl]ethynyl]pyridazine

Names & synonyms

3,4-bis(benzyloxy)-6-{2-[3-(trifluoromethyl)phenyl]ethynyl}pyridazineSCHEMBL147193223,4-bis(Benzyloxy)-6-{2-[3-(trifluoromethyl)phenyl]-ethynyl}pyridazine

Database identifiers

PubChem CID
71270335

Properties

Computed structural properties

XLogP
6
Topological polar surface area
44.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
34

Related reactions

2 records
New reaction record

Compound notes

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