Basic information
- CAS
55427-33-3- Standard SMILES
O=C1CC(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1- InChIKey
BUWBQFUUIDVFEL-UHFFFAOYSA-N- Molecular formula
- C18H16N2O3
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.11609237
Names & identifiers
- Preferred name
- Mls002704122
- IUPAC
- 1,3-dibenzyl-1,3-diazinane-2,4,6-trione
Names & synonyms
MLS00270412255427-33-3DTXSID10296396RefChem:357234DTXCID002475341,3-dibenzyl-1,3-diazinane-2,4,6-trione1,3-dibenzylbarbituric acidNSC109110Oprea1_3397261,3-dibenzyl barbituric acidSCHEMBL5448612CHEMBL1766837
Show more names
BUWBQFUUIDVFEL-UHFFFAOYSA-NSTK398299AKOS000313386NSC-109110SMR001570828ST450575561,3-dibenzylpyrimidine-2,4,6(1H,3H,5H)-trione1,3-bisbenzyl-1,3,5-trihydropyrimidine-2,4,6-trione
Database identifiers
- CAS
55427-33-3- PubChem CID
- 268729
- DTXSID
DTXSID10296396- ChEMBL
CHEMBL1766837
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 425
Related reactions
7 records
Compound notes
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