Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4
Basic information
- CAS
5131-88-4- Standard SMILES
O=C1NC(=O)C(=Cc2ccc(O)c(O)c2)C(=O)N1- InChIKey
PJCLRLDOILEINS-UHFFFAOYSA-N- Molecular formula
- C11H8N2O5
- Average molar mass
- 248.19 g/mol
- Monoisotopic mass
- 248.04332136
Names & identifiers
- Preferred name
- Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4
- IUPAC
- 5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Names & synonyms
5131-88-4RefChem:329096Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4CHEMBL32904015-(3,4-dihydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione hydrate5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trioneCDS1_000129Maybridge1_002417CBMicro_006484DivK1c_001169SCHEMBL2805861
Show more names
SCHEMBL30020313HMS548F19DTXSID80416701SMSF0003598BDBM50497180STK834647AKOS000447078CB08770
Database identifiers
- CAS
5131-88-4- PubChem CID
- 5337602
- DTXSID
DTXSID80416701- ChEMBL
CHEMBL3290401- Nikkaji
- J3.299.900J
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…