Basic information
- CAS
73681-00-2- Standard SMILES
CCCCCCCCCCCCC1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O- InChIKey
FDIQZTLQFGRADN-UHFFFAOYSA-N- Molecular formula
- C28H36N2O3
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 448.27259301
Names & identifiers
- Preferred name
- Barbituric acid, 1,3-diphenyl-5-dodecyl-
- IUPAC
- 5-dodecyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
Names & synonyms
1,3-Diphenyl-5-dodecylbarbituric acidBRN 0860720BARBITURIC ACID, 1,3-DIPHENYL-5-DODECYL-73681-00-2DTXSID102239455-24-09-00181 (Beilstein Handbook Reference)RefChem:320611DTXCID401464365-dodecyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
73681-00-2- PubChem CID
- 52174
- DTXSID
DTXSID10223945- Nikkaji
- J105.497J
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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