Basic information
- Standard SMILES
FC(F)(F)c1ccccc1C#Cc1cc(OCc2ccccc2)c(OCc2ccccc2)nn1- InChIKey
KLEVSFOYMCZWLK-UHFFFAOYSA-N- Molecular formula
- C27H19F3N2O2
- Average molar mass
- 460.4 g/mol
Names & identifiers
- Preferred name
- 3,4-Bis(benzyloxy)-6-((2-trifluoromethylphenyl)ethynyl)pyridazine
- IUPAC
- 3,4-bis(phenylmethoxy)-6-[2-[2-(trifluoromethyl)phenyl]ethynyl]pyridazine
Names & synonyms
3,4-bis(benzyloxy)-6-((2-trifluoromethylphenyl)ethynyl)pyridazineSCHEMBL147193483,4-bis(Benzyloxy)-6-{2-[2-(trifluoromethyl)phenyl]-ethynyl}pyridazine
Database identifiers
- PubChem CID
- 71270351
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
- Formal charge
- 0
- Complexity
- 676
Related reactions
2 records
Compound notes
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