2-Propen-1-one, 1-(2-((4-fluorophenyl)methyl)-3-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-
Basic information
- CAS
280571-41-7- Standard SMILES
O=C(/C=C(\O)c1ccoc1Cc1ccc(F)cc1)c1ncn[nH]1- InChIKey
IWYWSUMSKDPAHQ-JYRVWZFOSA-N- Molecular formula
- C16H12FN3O3
- Average molar mass
- 313.28 g/mol
- Monoisotopic mass
- 313.08626942
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(2-((4-fluorophenyl)methyl)-3-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-
- IUPAC
- (Z)-3-[2-[(4-fluorophenyl)methyl]furan-3-yl]-3-hydroxy-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
Names & synonyms
280571-41-72-Propen-1-one, 1-(2-((4-fluorophenyl)methyl)-3-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-280571-44-02-Propen-1-one, 1-(2-((4-fluorophenyl)methyl)-3-furanyl)-3-hydroxy-3-(1H-tetrazol-5-yl)-2-Propen-1-one, 1-[2-[(4-fluorophenyl)methyl]-3-furanyl]-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-2-Propen-1-one, 1-[2-[(4-fluorophenyl)methyl]-3-furanyl]-3-hydroxy-3-(1H-tetrazol-5-yl)-(Z)-1-[2-[(4-fluorophenyl)methyl]-3-furyl]-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)prop-2-en-1-one(Z)-1-[2-[(4-fluorophenyl)methyl]-3-furyl]-3-hydroxy-3-(4H-1,2,4-triazol-3-yl)prop-2-en-1-one
Database identifiers
- CAS
280571-41-7、280571-44-0- PubChem CID
- 5482741
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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