Basic information
- CAS
33837-11-5- Standard SMILES
CCCC(=O)ON1C(=O)NC(=O)C(CCC)(c2ccccc2)C1=O- InChIKey
PELAACFWZFHXDR-UHFFFAOYSA-N- Molecular formula
- C17H20N2O5
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.13722174
Names & identifiers
- Preferred name
- Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid
- IUPAC
- (2,4,6-trioxo-5-phenyl-5-propyl-1,3-diazinan-1-yl) butanoate
Names & synonyms
33837-11-5Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acidRefChem:1080497BRN 07096395-Phenyl-5-(2-butyroxypropyl)barbituric acidDTXSID009554203-(Butanoyloxy)-6-hydroxy-5-phenyl-5-propylpyrimidine-2,4(3H,5H)-dione4-Hydroxy-2,6-dioxo-5-phenyl-5-propyl-5,6-dihydropyrimidin-1(2H)-yl butanoate
Database identifiers
- CAS
33837-11-5- PubChem CID
- 214697
- DTXSID
DTXSID00955420
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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