Basic information
- CAS
353510-25-5- Standard SMILES
O=C1NN(c2ccc(F)cc2)C(=O)C1=Cc1cccc(OCc2ccccc2F)c1- InChIKey
OPNOKMCPQWTTTB-UHFFFAOYSA-N- Molecular formula
- C23H16F2N2O3
- Average molar mass
- 406.4 g/mol
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione
- IUPAC
- 1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione
- English name
- 4-{3-[(2-fluorobenzyl)oxy]benzylidene}-1-(4-fluorophenyl)-3,5-pyrazolidinedione
- Molecular formula
- C23H16F2N2O3
- Molecular weight
- 406.38
Names & synonyms
4-{3-[(2-fluorobenzyl)oxy]benzylidene}-1-(4-fluorophenyl)-3,5-pyrazolidinedione3,5-Pyrazolidinedione, 1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylene]-
Database identifiers
- CAS
353510-25-5
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 663
Physicochemical properties
- Density
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- pka
- 8.77 · 8.77±0.20(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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