Barbituric acid, 5-benzyl-5-propyl-
Basic information
- CAS
66984-60-9- Standard SMILES
CCCC1(Cc2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
TWEDFQSMTLQVQZ-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609238
Names & identifiers
- Preferred name
- Barbituric acid, 5-benzyl-5-propyl-
- IUPAC
- 5-benzyl-5-propyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BARBITURIC ACID, 5-BENZYL-5-PROPYL-66984-60-95-Benzyl-5-propylbarbituric acidBRN 02582505-benzyl-5-propyl-1,3-diazinane-2,4,6-trioneDTXSID40217190
Database identifiers
- CAS
66984-60-9- PubChem CID
- 48821
- DTXSID
DTXSID40217190- Nikkaji
- J93.486K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
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Compound notes
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