Basic information
- CAS
66940-57-6- Standard SMILES
O=C1NC(=O)C(CC=C2CCCCC2)(c2ccccc2)C(=O)N1- InChIKey
FKOWNCWHGSPKPZ-UHFFFAOYSA-N- Molecular formula
- C18H20N2O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.1473925
Names & identifiers
- Preferred name
- Barbituric acid, 5-(cyclohexylideneethyl)-5-phenyl-
- IUPAC
- 5-(2-cyclohexylideneethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Cyclohexylideneethyl)-5-phenylbarbituric acid
- Molecular weight
- 0
Names & synonyms
BRN 0300522BARBITURIC ACID, 5-(CYCLOHEXYLIDENEETHYL)-5-PHENYL-66940-57-65-(Cyclohexylideneethyl)-5-phenylbarbituric acidDTXSID902170894-24-00-02118 (Beilstein Handbook Reference)RefChem:320710DTXCID401395805-(2-cyclohexylideneethyl)-5-phenyl-1,3-diazinane-2,4,6-trione5-(2-Cyclohexylideneethyl)-5-phenylbarbituric acid5-(2-Cyclohexylideneethyl)-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
66940-57-6- PubChem CID
- 48404
- DTXSID
DTXSID90217089- Nikkaji
- J105.422H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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