5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione
Basic information
- CAS
60784-70-5- Standard SMILES
CCCCCCCC1(CC)C(=O)NC(=O)NC1=O- InChIKey
FLJQERBDKWFELA-UHFFFAOYSA-N- Molecular formula
- C13H22N2O3
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.16304257
Names & identifiers
- Preferred name
- 5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-ethyl-5-heptyl-1,3-diazinane-2,4,6-trione
Names & synonyms
5-ethyl-5-heptyl-1,3-diazinane-2,4,6-trione5-ethyl-5-heptylbarbiturateSCHEMBL4390354SCHEMBL4390355CHEMBL1797005DTXSID508729765-Ethyl-5-n-heptylbarbituric acid
Database identifiers
- CAS
60784-70-5- PubChem CID
- 43473
- DTXSID
DTXSID50872976- ChEMBL
CHEMBL1797005- Nikkaji
- J620.767G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 319
Experimental & physicochemical properties
LogP2.91
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Related reactions
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Compound notes
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