Basic information
- CAS
38024-62-3- Standard SMILES
CCC1(c2ccccc2)C(=O)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1=O- InChIKey
VQNRBKTXBJUHPV-UHFFFAOYSA-N- Molecular formula
- C26H24N2O3
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.17869263
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis(phenylmethyl)-5-ethyl-5-phenyl-
- IUPAC
- 1,3-dibenzyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
- English name
- 1,3-Bis(phenylmethyl)-5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrion e
- Molecular formula
- C26H24N2O3
- Molecular weight
- 412.48
Names & synonyms
BRN 063159438024-62-32,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis(phenylmethyl)-5-ethyl-5-phenyl-1,3-Dibenzyl-5-ethyl-5-phenylbarbituric acidDTXSID101914335-24-09-00298 (Beilstein Handbook Reference)1,3-Bis(phenylmethyl)-5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrioneRefChem:245609DTXCID201139241,3-dibenzyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trioneOprea1_377602CBDivE_007043
Show more names
1,3-Bis(phenylmethyl)-5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrion e2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-1,3-bis(phenylmethyl)-
Database identifiers
- CAS
38024-62-3- PubChem CID
- 217019
- DTXSID
DTXSID10191433
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 616
Physicochemical properties
- Boiling point
- 568.1 · 568.1±60.0 °C(Predicted)
- Density
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- pka
- -2.56 · -2.56±0.40(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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