5,5-Bis[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Basic information
- CAS
477889-01-3- Standard SMILES
CN1C(=O)N(C)C(=O)C(CC(=O)c2ccc(Br)cc2)(CC(=O)c2ccc(Br)cc2)C1=O- InChIKey
XVOSVKHIIZVQEY-UHFFFAOYSA-N- Molecular formula
- C22H18Br2N2O5
- Average molar mass
- 550.2 g/mol
Names & identifiers
- Preferred name
- 5,5-Bis[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
- IUPAC
- 5,5-bis[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
- English name
- 5,5-Bis[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C22H18Br2N2O5
- Molecular weight
- 550.2
Names & synonyms
477889-01-35,5-bis[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione5,5-bis[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrioneKS-000034NPOprea1_412245AKOS0050862752R-01472,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-bis[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-
Database identifiers
- CAS
477889-01-3
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 708
Physicochemical properties
- Boiling point
- 639.8 · 639.8±63.0 °C(Predicted)
- Density
- 1.604 · 1.604±0.06 g/cm3(Predicted)
- pka
- -3.24 · -3.24±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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