Basic information
- CAS
27506-78-1- Standard SMILES
CCC1(c2ccccc2)C(=O)N(COC(C)=O)C(=O)N(COC(C)=O)C1=O- InChIKey
GUWJJPGXGXERJJ-UHFFFAOYSA-N- Molecular formula
- C18H20N2O7
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.12705098
Names & identifiers
- Preferred name
- Barbituric acid, 1,3-bis(acetoxymethyl)-5-ethyl-5-phenyl-
- IUPAC
- [3-(acetyloxymethyl)-5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl]methyl acetate
Names & synonyms
BARBITURIC ACID, 1,3-BIS(ACETOXYMETHYL)-5-ETHYL-5-PHENYL-27506-78-1DTXSID40181923RefChem:1077468DTXCID80104414BRN 05874911,3-Bis(acetoxymethyl)-5-ethyl-5-phenylbarbituric acid(5-Ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinane-1,3-diyl)bis(methylene) diacetate
Database identifiers
- CAS
27506-78-1- PubChem CID
- 33920
- DTXSID
DTXSID40181923- Nikkaji
- J54.722K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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