2-Propen-1-one, 1-(4-chloro-5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-
Basic information
- CAS
280571-78-0- Standard SMILES
O=C(C=C(O)c1ncn[nH]1)c1cc(Cl)c(Cc2ccc(F)cc2)o1- InChIKey
NULGGFBESGMEGT-UHFFFAOYSA-N- Molecular formula
- C16H11ClFN3O3
- Average molar mass
- 347.73 g/mol
- Monoisotopic mass
- 347.0472971
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(4-chloro-5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-
- IUPAC
- 1-[4-chloro-5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
Names & synonyms
280571-78-02-Propen-1-one, 1-(4-chloro-5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-2-Propen-1-one, 1-[4-chloro-5-[(4-fluorophenyl)methyl]-2-furanyl]-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-SCHEMBL4678531DTXSID00950753(Z)-1-[4-chloro-5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-3-(4H-1,2,4-triazol-3-yl)prop-2-en-1-one1-{4-CHLORO-5-[(4-FLUOROPHENYL)METHYL]FURAN-2-YL}-3-HYDROXY-3-(1H-1,2,4-TRIAZOL-3-YL)PROP-2-EN-1-ONE
Database identifiers
- CAS
280571-78-0- PubChem CID
- 489203
- DTXSID
DTXSID00950753
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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