Basic information
- CAS
743-45-3- Standard SMILES
C=CCC1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O- InChIKey
CSCJXJYSSKSVQF-UHFFFAOYSA-N- Molecular formula
- C19H16N2O3
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.11609238
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-1,3-diphenyl-
- IUPAC
- 1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Allyl-1,3-diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C19H16N2O3
- Molecular weight
- 320.34
Names & synonyms
BARBITURIC ACID, 5-ALLYL-1,3-DIPHENYL-743-45-35-Allyl-1,3-diphenylbarbituric acidBRN 05587285-Allyl-1,3-diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrioneSCHEMBL17358731DTXSID202253141,3-diphenyl-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione5-allyl-1,3-diphenyl-pyrimidine-2,4,6-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-diphenyl-5-(2-propen-1-yl)-
Database identifiers
- CAS
743-45-3- PubChem CID
- 12937
- DTXSID
DTXSID20225314- Nikkaji
- J84.835B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Boiling point
- 459.24 °C · 459.24°C (rough estimate)
- Density
- 1.2564 · 1.2564 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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