Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester)
Basic information
- CAS
27506-81-6- Standard SMILES
CCC(=O)OCN1C(=O)N(COC(=O)CC)C(=O)C(CC)(c2ccccc2)C1=O- InChIKey
CCZSDYAMFHIDNA-UHFFFAOYSA-N- Molecular formula
- C20H24N2O7
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.15835111
Names & identifiers
- Preferred name
- Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester)
- IUPAC
- [5-ethyl-2,4,6-trioxo-5-phenyl-3-(propanoyloxymethyl)-1,3-diazinan-1-yl]methyl propanoate
Names & synonyms
27506-81-6N,N'-Bis(propionoxymethyl)phenobarbital1,3-Bis(hydroxymethyl)-5-ethyl-5-phenylbarbituric acid dipropionate (ester)Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester)DTXSID20181926RefChem:320600DTXCID60104417(5-Ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinane-1,3-diyl)bis(methylene) dipropanoate
Database identifiers
- CAS
27506-81-6- PubChem CID
- 213997
- DTXSID
DTXSID20181926
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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