Basic information
- Standard SMILES
N#Cc1ccc(C#Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1- InChIKey
NVRHTJWRKXWABJ-UHFFFAOYSA-N- Molecular formula
- C27H19N3O2
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.14772686
Names & identifiers
- Preferred name
- 4-{2-[5,6-bis(Benzyloxy)pyridazin-3-yl]ethynyl}benzonitrile
- IUPAC
- 4-[2-[5,6-bis(phenylmethoxy)pyridazin-3-yl]ethynyl]benzonitrile
Names & synonyms
SCHEMBL14719672NVRHTJWRKXWABJ-UHFFFAOYSA-N4-{2-[5,6-bis(Benzyloxy)pyridazin-3-yl]ethynyl}benzonitrile
Database identifiers
- PubChem CID
- 71270550
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 669
Related reactions
1 records
Compound notes
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