Basic information
- Standard SMILES
Cc1cc(C#Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)ccc1C(F)(F)F- InChIKey
HJFJHNQIZUMYBB-UHFFFAOYSA-N- Molecular formula
- C28H21F3N2O2
- Average molar mass
- 474.5 g/mol
Names & identifiers
- Preferred name
- 3,4-Bis(benzyloxy)-6-((3-methyl-4-(trifluoromethyl)phenyl)-ethynyl)pyridazine
- IUPAC
- 6-[2-[3-methyl-4-(trifluoromethyl)phenyl]ethynyl]-3,4-bis(phenylmethoxy)pyridazine
Names & synonyms
3,4-bis(benzyloxy)-6-((3-methyl-4-(trifluoromethyl)phenyl)-ethynyl)pyridazineSCHEMBL14718568
Database identifiers
- PubChem CID
- 71269897
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 44.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 706
Related reactions
5 records
Compound notes
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