Barbituric acid, 1,3-dicyclohexyl-5-ethyl-
Basic information
- CAS
851-35-4- Standard SMILES
CCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O- InChIKey
YTKIPBSQWDAMQR-UHFFFAOYSA-N- Molecular formula
- C18H28N2O3
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.20999276
Names & identifiers
- Preferred name
- Barbituric acid, 1,3-dicyclohexyl-5-ethyl-
- IUPAC
- 1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BRN 06942871,3-Dicyclohexyl-5-ethylbarbituric acidBARBITURIC ACID, 1,3-DICYCLOHEXYL-5-ETHYL-1,3-Dicyclohexyl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione851-35-42,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dicyclohexyl-5-ethyl-5-24-09-00122 (Beilstein Handbook Reference)DTXSID80234220RefChem:320604DTXCID801567111,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
851-35-4- PubChem CID
- 13325
- DTXSID
DTXSID80234220- Nikkaji
- J54.557K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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