Basic information
- CAS
280571-90-6- Standard SMILES
CCc1nc(C(O)=CC(=O)c2ccc(Cc3ccc(F)cc3)o2)n[nH]1- InChIKey
UAPHDLXRPXQJIJ-UHFFFAOYSA-N- Molecular formula
- C18H16FN3O3
- Average molar mass
- 341.3 g/mol
- Monoisotopic mass
- 341.11756954
Names & identifiers
- Preferred name
- 2-Propen-1-one, 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-
- IUPAC
- 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxyprop-2-en-1-one
Names & synonyms
280571-90-62-Propen-1-one, 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-2-Propen-1-one, 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-[5-[(4-fluorophenyl)methyl]-2-furanyl]-3-hydroxy-SCHEMBL5899384DTXSID40950757(Z)-3-(5-ethyl-4H-1,2,4-triazol-3-yl)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-prop-2-en-1-one3-(5-ETHYL-1H-1,2,4-TRIAZOL-3-YL)-1-{5-[(4-FLUOROPHENYL)METHYL]FURAN-2-YL}-3-HYDROXYPROP-2-EN-1-ONE
Database identifiers
- CAS
280571-90-6- PubChem CID
- 489207
- DTXSID
DTXSID40950757
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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