Basic information
- CAS
470718-73-1- Standard SMILES
CN(C)c1oc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br- InChIKey
MDLFOZKUFVHDHT-UHFFFAOYSA-N- Molecular formula
- C17H14BrN3O4
- Average molar mass
- 404.2 g/mol
Names & identifiers
- Preferred name
- 5-[[4-Bromo-5-(dimethylamino)furan-2-yl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-[[4-bromo-5-(dimethylamino)furan-2-yl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
- English name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[4-bromo-5-(dimethylamino)-2-furanyl]methylene]-1-phenyl-
- Molecular formula
- C17H14BrN3O4
- Molecular weight
- 404.21
Names & synonyms
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[4-bromo-5-(dimethylamino)-2-furanyl]methylene]-1-phenyl-
Database identifiers
- CAS
470718-73-1
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- Density
- 1.604 · 1.604±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.919 · 6.919±0.20(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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