2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(1-methylethyl)-1H-1,2,4-triazol-3-yl)-
Basic information
- CAS
280571-91-7- Standard SMILES
CC(C)c1nc(C(O)=CC(=O)c2ccc(Cc3ccc(F)cc3)o2)n[nH]1- InChIKey
IKQPNUIHZCLAMS-UHFFFAOYSA-N- Molecular formula
- C19H18FN3O3
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.13321961
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(1-methylethyl)-1H-1,2,4-triazol-3-yl)-
- IUPAC
- 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)prop-2-en-1-one
Names & synonyms
280571-91-72-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(1-methylethyl)-1H-1,2,4-triazol-3-yl)-2-Propen-1-one, 1-[5-[(4-fluorophenyl)methyl]-2-furanyl]-3-hydroxy-3-[5-(1-methylethyl)-1H-1,2,4-triazol-3-yl]-SCHEMBL4673258DTXSID00950758(Z)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-3-(5-isopropyl-4H-1,2,4-triazol-3-yl)prop-2-en-1-one1-{5-[(4-Fluorophenyl)methyl]furan-2-yl}-3-hydroxy-3-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]prop-2-en-1-one
Database identifiers
- CAS
280571-91-7- PubChem CID
- 489208
- DTXSID
DTXSID00950758
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…