5-[(2,3-Dihydro-1H-inden-5-yl)methylene]-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Basic information
- CAS
199991-63-4- Standard SMILES
O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCC2- InChIKey
FSQAYOZDWTXOEK-UHFFFAOYSA-N- Molecular formula
- C20H16N2O3
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.11609238
Names & identifiers
- Preferred name
- 5-[(2,3-Dihydro-1H-inden-5-yl)methylene]-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 5-(2,3-dihydro-1H-inden-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
- English name
- 2-Hydroxy-5-(indanylmethylene)-1-phenyl-4,6-(1H,5H)pyrimidinedione
- Molecular formula
- C20H16N2O3
- Molecular weight
- 332.35
Names & synonyms
199991-63-4DTXSID0011309475-[(2,3-Dihydro-1H-inden-5-yl)methylene]-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione5-[(2,3-Dihydro-1H-inden-5-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione2-Hydroxy-5-(indanylmethylene)-1-phenyl-4,6-(1H,5H)pyrimidinedione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2,3-dihydro-1H-inden-5-yl)methylene]-1-phenyl-
Database identifiers
- CAS
199991-63-4- PubChem CID
- 340697
- DTXSID
DTXSID001130947
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 606
Physicochemical properties
- Density
- 1.362 · 1.362±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.341 · 8.341±0.20(predicted)
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Compound notes
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