Basic information
- CAS
50884-84-9- Standard SMILES
CCCCOCN1C(=O)NC(=O)C(CC)(c2ccccc2)C1=O- InChIKey
SCVDLQPDZIQFRK-UHFFFAOYSA-N- Molecular formula
- C17H22N2O4
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.15795719
Names & identifiers
- Preferred name
- Barbituric acid, 1-(butoxymethyl)-5-ethyl-5-phenyl-
- IUPAC
- 1-(butoxymethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
- English name
- 1-(Butoxymethyl)-5-ethyl-5-phenylbarbituric acid
- Molecular formula
- C17H22N2O4
- Molecular weight
- 318.37
Names & synonyms
50884-84-9BARBITURIC ACID, 1-(BUTOXYMETHYL)-5-ETHYL-5-PHENYL-RefChem:10774961-(Butoxymethyl)-5-ethyl-5-phenylbarbituric acidBRN 0763066N-(n-Butoxymethyl)phenobarbital1-n-Butoxymethyl-5-ethyl-5-phenylbarbituric acid2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(butoxymethyl)-5-ethyl-5-phenyl-DTXSID00965120DB-2588953-(Butoxymethyl)-5-ethyl-6-hydroxy-5-phenylpyrimidine-2,4(3H,5H)-dione1-(Butoxymethyl)-5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
50884-84-9- PubChem CID
- 39833
- DTXSID
DTXSID00965120- Nikkaji
- J93.525E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- pka
- 8.42 · 8.42±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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