Basic information
- Standard SMILES
Fc1cc(Cl)ccc1C=Cc1nc(COc2ncc(CCCCn3ccnn3)cn2)co1- InChIKey
KYWWJNNUNRNSDJ-UHFFFAOYSA-N- Molecular formula
- C22H20ClFN6O2
- Average molar mass
- 454.9 g/mol
- Monoisotopic mass
- 454.1320298
Names & identifiers
- Preferred name
- 2-{2-[2-(4-Chloro-2-fluoro-phenyl)-vinyl]-oxazol-4-ylmethoxy}-5-(4-[1,2,3]triazol-1-yl-butyl)-pyrimidine
- IUPAC
- 2-[2-(4-chloro-2-fluorophenyl)ethenyl]-4-[[5-[4-(triazol-1-yl)butyl]pyrimidin-2-yl]oxymethyl]-1,3-oxazole
Names & synonyms
SCHEMBL5555487KYWWJNNUNRNSDJ-UHFFFAOYSA-N2-{2-[2-(4-chloro-2-fluoro-phenyl)-vinyl]-oxazol-4-ylmethoxy}-5-(4-[1,2,3]triazol-1-yl-butyl)-pyrimidine
Database identifiers
- PubChem CID
- 69486017
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 583
Related reactions
2 records
Compound notes
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