Basic information
- CAS
113121-51-0- Standard SMILES
COc1c(-c2ccccc2)nc2ccc(-c3cccc(C)c3)nn12- InChIKey
QKHZPKIIXDLKKG-UHFFFAOYSA-N- Molecular formula
- C20H17N3O
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.13716217
Names & identifiers
- Preferred name
- 3-Methoxy-6-(3-methylphenyl)-2-phenylimidazo[1,2-b]pyridazine
- IUPAC
- 3-methoxy-6-(3-methylphenyl)-2-phenylimidazo[1,2-b]pyridazine
Names & synonyms
DTXSID901180844113121-51-03-Methoxy-6-(3-methylphenyl)-2-phenylimidazo[1,2-b]pyridazine
Database identifiers
- CAS
113121-51-0- PubChem CID
- 85542873
- DTXSID
DTXSID901180844
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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