5-[[4-[(4-Bromophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Basic information
- CAS
477862-55-8- Standard SMILES
CN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)C(=O)N(C)C1=O- InChIKey
KQBSJOYBOYVQOL-UHFFFAOYSA-N- Molecular formula
- C20H17BrN2O4
- Average molar mass
- 429.3 g/mol
Names & identifiers
- Preferred name
- 5-[[4-[(4-Bromophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
- English name
- 5-((4-[(4-Bromobenzyl)oxy]phenyl)methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C20H17BrN2O4
- Molecular weight
- 429.26
Names & synonyms
477862-55-85-({4-[(4-bromobenzyl)oxy]phenyl}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione5-({4-[(4-bromophenyl)methoxy]phenyl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trioneAKOS00508111212P-0845-((4-[(4-Bromobenzyl)oxy]phenyl)methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylene]-1,3-dimethyl-
Database identifiers
- CAS
477862-55-8
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 593
Physicochemical properties
- Boiling point
- 559 · 559.0±60.0 °C(Predicted)
- Density
- 1.497 · 1.497±0.06 g/cm3(Predicted)
- pka
- -2.21 · -2.21±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…