2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)-
Basic information
- CAS
280571-52-0- Standard SMILES
Cc1nc(C(O)=CC(=O)c2ccc(Cc3ccc(F)cc3)o2)n[nH]1- InChIKey
AWQDLUJWESYRCV-UHFFFAOYSA-N- Molecular formula
- C17H14FN3O3
- Average molar mass
- 327.31 g/mol
- Monoisotopic mass
- 327.10191948
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)-
- IUPAC
- 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-one
Names & synonyms
280571-52-02-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)-2-Propen-1-one, 1-[5-[(4-fluorophenyl)methyl]-2-furanyl]-3-hydroxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)-SCHEMBL4679984DTXSID30950746(Z)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-3-(5-methyl-4H-1,2,4-triazol-3-yl)prop-2-en-1-one1-{5-[(4-FLUOROPHENYL)METHYL]FURAN-2-YL}-3-HYDROXY-3-(5-METHYL-1H-1,2,4-TRIAZOL-3-YL)PROP-2-EN-1-ONE
Database identifiers
- CAS
280571-52-0- PubChem CID
- 489196
- DTXSID
DTXSID30950746
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
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Compound notes
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