Basic information
- CAS
73680-99-6- Standard SMILES
CC(C)=CCC1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O- InChIKey
DJYKVVADYPSQRV-UHFFFAOYSA-N- Molecular formula
- C21H20N2O3
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.1473925
Names & identifiers
- Preferred name
- Barbituric acid, 5-(3,3-dimethylallyl)-1,3-diphenyl-
- IUPAC
- 5-(3-methylbut-2-enyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BRN 0566053BARBITURIC ACID, 5-(3,3-DIMETHYLALLYL)-1,3-DIPHENYL-5-(3,3-Dimethylallyl)-1,3-diphenylbarbituric acid73680-99-6DTXSID502239445-24-09-00221 (Beilstein Handbook Reference)RefChem:320693DTXCID801464355-(3-methylbut-2-en-1-yl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
73680-99-6- PubChem CID
- 52173
- DTXSID
DTXSID50223944- Nikkaji
- J105.472D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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