5-Benzylidene-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Basic information
- CAS
352348-53-9- Standard SMILES
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3)C2=O)cc1- InChIKey
UYFWAYYORZHCSM-UHFFFAOYSA-N- Molecular formula
- C18H14N2O4
- Average molar mass
- 322.3 g/mol
- Monoisotopic mass
- 322.09535693
Names & identifiers
- Preferred name
- 5-Benzylidene-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-benzylidene-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-benzylidene-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C18H14N2O4
- Molecular weight
- 322.31
Names & synonyms
5-benzylidene-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(4-methoxyphenyl)-5-(phenylmethylene)-
Database identifiers
- CAS
352348-53-9- PubChem CID
- 794006
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 543
Physicochemical properties
- Density
- 1.348 · 1.348±0.06 g/cm3(Predicted)
- pka
- 8.32 · 8.32±0.20(Predicted)
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Related reactions
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Compound notes
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