(4E)-5-(4-fluorophenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-(pyrimidin-2-yl)pyrrolidine-2,3-dione
Basic information
- CAS
384374-66-7- Standard SMILES
O=C(C1=C(O)C(=O)N(c2ncccn2)C1c1ccc(F)cc1)c1ccco1- InChIKey
PTPDTLVDPFVYFP-UHFFFAOYSA-N- Molecular formula
- C19H12FN3O4
- Average molar mass
- 365.3 g/mol
- Monoisotopic mass
- 365.08118403
Names & identifiers
- Preferred name
- (4E)-5-(4-fluorophenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-(pyrimidin-2-yl)pyrrolidine-2,3-dione
- IUPAC
- 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one
Names & synonyms
384374-66-7(4E)-5-(4-fluorophenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-(pyrimidin-2-yl)pyrrolidine-2,3-dioneOprea1_189151MLS000767853CHEMBL1420588DTXSID701328375HMS2792F11STK544067AKOS002179802AKOS005473410AKOS0162963232-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one
Show more names
SMR000430182ST500679825-(4-fluorophenyl)-4-(2-furylcarbonyl)-3-hydroxy-1-pyrimidin-2-yl-3-pyrrolin-2 -one5-(4-fluorophenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one5-(4-Fluoro-phenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-pyrimidin-2-yl-1,5-dihydro-pyrrol-2-one5-(4-Fluorophenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(pyrimidin-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Database identifiers
- CAS
384374-66-7- PubChem CID
- 3789487
- DTXSID
DTXSID701328375- ChEMBL
CHEMBL1420588
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 626
Experimental & physicochemical properties
Solubility53.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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