4-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-bromophenyl)pyrazolidine-3,5-dione
Basic information
- CAS
353782-65-7- Standard SMILES
COc1cc(C=C2C(=O)NN(c3ccc(Br)cc3)C2=O)cc(Br)c1O- InChIKey
PMDHYOFDFSWQCD-UHFFFAOYSA-N- Molecular formula
- C17H12Br2N2O4
- Average molar mass
- 468.1 g/mol
- Monoisotopic mass
- 465.91638
Names & identifiers
- Preferred name
- 4-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-bromophenyl)pyrazolidine-3,5-dione
- IUPAC
- 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-bromophenyl)pyrazolidine-3,5-dione
- English name
- 4-(3-bromo-4-hydroxy-5-methoxybenzylidene)-1-(4-bromophenyl)-3,5-pyrazolidinedione
- Molecular formula
- C17H12Br2N2O4
- Molecular weight
- 468.1
Names & synonyms
4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-bromophenyl)pyrazolidine-3,5-dione4-(3-bromo-4-hydroxy-5-methoxybenzylidene)-1-(4-bromophenyl)-3,5-pyrazolidinedione
Database identifiers
- CAS
353782-65-7- PubChem CID
- 5003293
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 563
Physicochemical properties
- Density
- 1.832 · 1.832±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.762 · 7.762±0.40(predicted)
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Compound notes
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