Basic information
- Standard SMILES
O=S(c1ccc(/C=C/c2nc(COc3ccc(COCCn4ccnn4)cc3)co2)cc1)C(F)(F)F- InChIKey
KEDAINPOKIIWMK-BJMVGYQFSA-N- Molecular formula
- C24H21F3N4O4S
- Average molar mass
- 518.5 g/mol
Names & identifiers
- Preferred name
- 1-[2-(4-{2-[(e)-2-(-4-Trifluoromethanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-phenyl-methoxy)-ethyl]-1h-[1,2,3]triazole
- IUPAC
- 4-[[4-[2-(triazol-1-yl)ethoxymethyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethylsulfinyl)phenyl]ethenyl]-1,3-oxazole
Names & synonyms
1-[2-(4-{2-[(e)-2-(-4-trifluoromethanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-phenyl-methoxy)-ethyl]-1h-[1,2,3]triazoleSCHEMBL50450771-[2-(4-{2-[(E)-2-(-4-Trifluoromethanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-phenyl- methoxy)-ethyl]-1H-[1,2,3]triazole
Database identifiers
- PubChem CID
- 11409778
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 716
Related reactions
1 records
Compound notes
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