Basic information
- Standard SMILES
FC(F)(F)Oc1ccc(C=Cc2nc(COc3ccc(CCCCn4ccnn4)nn3)co2)cc1- InChIKey
KKZWLLKXYGRFHT-UHFFFAOYSA-N- Molecular formula
- C23H21F3N6O3
- Average molar mass
- 486.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-[1,2,3]Triazol-1-yl-butyl)-6-{2-[2-(4-trifluoromethoxy-phenyl)-vinyl]-oxazol-4-ylmethoxy}-pyridazine
- IUPAC
- 4-[[6-[4-(triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole
Names & synonyms
3-(4-[1,2,3]triazol-1-yl-butyl)-6-{2-[2-(4-trifluoromethoxy-phenyl)-vinyl]-oxazol-4-ylmethoxy}-pyridazineSCHEMBL5561768
Database identifiers
- PubChem CID
- 69488948
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 650
Related reactions
2 records
Compound notes
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