3-(4-[1,2,3]Triazol-1-yl-but-1-enyl)-6-{2-[2-(4-trifluoromethyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-pyridazine
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Basic information
- Standard SMILES
FC(F)(F)c1ccc(C=Cc2nc(COc3ccc(C=CCCn4ccnn4)nn3)co2)cc1- InChIKey
HEIHQGPIPPVNJH-UHFFFAOYSA-N- Molecular formula
- C23H19F3N6O2
- Average molar mass
- 468.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-[1,2,3]Triazol-1-yl-but-1-enyl)-6-{2-[2-(4-trifluoromethyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-pyridazine
- IUPAC
- 4-[[6-[4-(triazol-1-yl)but-1-enyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
Names & synonyms
3-(4-[1,2,3]triazol-1-yl-but-1-enyl)-6-{2-[2-(4-trifluoromethyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-pyridazineSCHEMBL5557249
Database identifiers
- PubChem CID
- 69486703
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 672
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Related reactions
2 records
Compound notes
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