Basic information
- CAS
66968-99-8- Standard SMILES
CCC1(c2cccc3ccccc23)C(=O)NC(=O)NC1=O- InChIKey
HPNFKTSMYRTNBI-UHFFFAOYSA-N- Molecular formula
- C16H14N2O3
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.10044231
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-5-(1-naphthyl)-
- IUPAC
- 5-ethyl-5-naphthalen-1-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-5-(1-naphtyl)barbituric acid
- Molecular formula
- C16H14N2O3
- Molecular weight
- 282.29
Names & synonyms
BARBITURIC ACID, 5-ETHYL-5-(1-NAPHTHYL)-66968-99-85-Ethyl-5-(1-naphthyl)barbituric acidBRN 02905625-alpha-Naphthyl-5-ethylbarbituric acid5-ethyl-5-(naphthalen-1-yl)-1,3-diazinane-2,4,6-trioneDTXSID802171795-Ethyl-5-(1-naphtyl)barbituric acid5-Ethyl-5-(1-naphtyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-naphthalenyl)-
Database identifiers
- CAS
66968-99-8- PubChem CID
- 48815
- DTXSID
DTXSID80217179- Nikkaji
- J105.610G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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