Basic information
- Standard SMILES
Fc1cccc(F)c1C#Cc1cc(OCc2ccccc2)c(OCc2ccccc2)nn1- InChIKey
FKVCFKMNEIKDEI-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-(2,6-difluorophenyl)ethynyl]pyridazine
- IUPAC
- 6-[2-(2,6-difluorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine
Names & synonyms
SCHEMBL14718866FKVCFKMNEIKDEI-UHFFFAOYSA-N3,4-bis(Benzyloxy)-6-[2-(2,6-difluorophenyl)ethynyl]pyridazine
Database identifiers
- PubChem CID
- 71270075
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
- Formal charge
- 0
- Complexity
- 614
Related reactions
2 records
Compound notes
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