Basic information
- CAS
53414-37-2- Standard SMILES
C=CCC1(CC=C)C(=O)N(c2ccccc2)C(=O)N(C2CCCCC2)C1=O- InChIKey
IVSSDXBCDGDZMI-UHFFFAOYSA-N- Molecular formula
- C22H26N2O3
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.1943427
Names & identifiers
- Preferred name
- Barbituric acid, 1-cyclohexyl-5,5-diallyl-3-phenyl-
- IUPAC
- 1-cyclohexyl-3-phenyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
BARBITURIC ACID, 1-CYCLOHEXYL-5,5-DIALLYL-3-PHENYL-53414-37-2BRN 07114441-Cyclohexyl-5,5-diallyl-3-phenylbarbituric acid1-Phenyl-3-cyclohexyl-5,5-diallylbarbituric acidDTXSID102015811-Cyclohexyl-3-phenyl-5,5-di(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
53414-37-2- PubChem CID
- 40771
- DTXSID
DTXSID10201581
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 605
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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