Basic information
- Standard SMILES
Clc1ccc(C#Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1- InChIKey
NTDLENGUQSHQHV-UHFFFAOYSA-N- Molecular formula
- C26H19ClN2O2
- Average molar mass
- 426.9 g/mol
- Monoisotopic mass
- 426.1135055
Names & identifiers
- Preferred name
- 3,4-Bis(benzyloxy)-6-((4-chlorophenyl)ethynyl)pyridazine
- IUPAC
- 6-[2-(4-chlorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine
Names & synonyms
SCHEMBL14718339NTDLENGUQSHQHV-UHFFFAOYSA-N3,4-bis(benzyloxy)-6-((4-chlorophenyl)ethynyl)pyridazine3,4-bis(Benzyloxy)-6-[2-(4-chlorophenyl)ethynyl]pyridazine
Database identifiers
- PubChem CID
- 71269795
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 44.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 583
Related reactions
2 records
Compound notes
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