5-({4-[(2,4-Dichlorophenyl)methoxy]phenyl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
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Basic information
- CAS
477862-53-6- Standard SMILES
CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N(C)C1=O- InChIKey
QVRDDFPVBWPKEI-UHFFFAOYSA-N- Molecular formula
- C20H16Cl2N2O4
- Average molar mass
- 419.3 g/mol
Names & identifiers
- Preferred name
- 5-({4-[(2,4-Dichlorophenyl)methoxy]phenyl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
- English name
- 5-((4-[(2,4-Dichlorobenzyl)oxy]phenyl)methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C20H16Cl2N2O4
- Molecular weight
- 419.26
Names & synonyms
477862-53-65-({4-[(2,4-dichlorophenyl)methoxy]phenyl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trioneSTL505733AKOS0050811045-({4-[(2,4-dichlorobenzyl)oxy]phenyl}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione12P-0835-{4-[(2,4-dichlorobenzyl)oxy]benzylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione5-((4-[(2,4-Dichlorobenzyl)oxy]phenyl)methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylene]-1,3-dimethyl-
Database identifiers
- CAS
477862-53-6
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 635
Physicochemical properties
- Boiling point
- 559.6 · 559.6±60.0 °C(Predicted)
- Density
- 1.423 · 1.423±0.06 g/cm3(Predicted)
- pka
- -2.22 · -2.22±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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