Basic information
- Standard SMILES
Fc1cc(C(F)(F)F)ccc1C#Cc1cc(OCc2ccccc2)c(OCc2ccccc2)nn1- InChIKey
CGXHZMFWITXNNW-UHFFFAOYSA-N- Molecular formula
- C27H18F4N2O2
- Average molar mass
- 478.4 g/mol
- Monoisotopic mass
- 478.13044047
Names & identifiers
- Preferred name
- 3,4-bis(Benzyloxy)-6-{2-[2-fluoro-4-(trifluoromethyl)phenyl]-ethynyl}pyridazine
- IUPAC
- 6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,4-bis(phenylmethoxy)pyridazine
Names & synonyms
3,4-bis(Benzyloxy)-6-{2-[2-fluoro-4-(trifluoromethyl)phenyl]-ethynyl}pyridazineSCHEMBL14719605
Database identifiers
- PubChem CID
- 71270511
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 44.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 709
Related reactions
2 records
Compound notes
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