2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(2-thiazolyl)-
Basic information
- CAS
280571-96-2- Standard SMILES
O=C(C=C(O)c1ccc(Cc2ccc(F)cc2)o1)c1nccs1- InChIKey
ZAQIKBBZWIPLPG-UHFFFAOYSA-N- Molecular formula
- C17H12FNO3S
- Average molar mass
- 329.3 g/mol
- Monoisotopic mass
- 329.05219258
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(2-thiazolyl)-
- IUPAC
- 3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-1-(1,3-thiazol-2-yl)prop-2-en-1-one
Names & synonyms
280571-96-22-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(2-thiazolyl)-2-Propen-1-one, 1-[5-[(4-fluorophenyl)methyl]-2-furanyl]-3-hydroxy-3-(2-thiazolyl)-SCHEMBL4673404DTXSID30950761(Z)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-3-thiazol-2-yl-prop-2-en-1-one3-{5-[(4-Fluorophenyl)methyl]furan-2-yl}-3-hydroxy-1-(1,3-thiazol-2-yl)prop-2-en-1-one
Database identifiers
- CAS
280571-96-2- PubChem CID
- 489211
- DTXSID
DTXSID30950761
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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