2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)-
Basic information
- CAS
280571-89-3- Standard SMILES
COCc1nc(C(O)=CC(=O)c2ccc(Cc3ccc(F)cc3)o2)n[nH]1- InChIKey
VJMCJYDVPBMENA-UHFFFAOYSA-N- Molecular formula
- C18H16FN3O4
- Average molar mass
- 357.3 g/mol
- Monoisotopic mass
- 357.11248416
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)-
- IUPAC
- 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]prop-2-en-1-one
Names & synonyms
280571-89-32-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)-2-Propen-1-one, 1-[5-[(4-fluorophenyl)methyl]-2-furanyl]-3-hydroxy-3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-SCHEMBL4676482DTXSID80950756(Z)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-3-[5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]prop-2-en-1-one1-{5-[(4-FLUOROPHENYL)METHYL]FURAN-2-YL}-3-HYDROXY-3-[5-(METHOXYMETHYL)-1H-1,2,4-TRIAZOL-3-YL]PROP-2-EN-1-ONE
Database identifiers
- CAS
280571-89-3- PubChem CID
- 489206
- DTXSID
DTXSID80950756
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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