Basic information
- CAS
743-42-0- Standard SMILES
CCCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O- InChIKey
NCDGATZHWKMLQV-UHFFFAOYSA-N- Molecular formula
- C19H30N2O3
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.22564282
Names & identifiers
- Preferred name
- Barbituric acid, 1,3-dicyclohexyl-5-propyl-
- IUPAC
- 1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BRN 08963461,3-Dicyclohexyl-5-propylbarbituric acidBARBITURIC ACID, 1,3-DICYCLOHEXYL-5-PROPYL-1,3-Dicyclohexyl-5-propyl-2,4,6(1H,3H,5H)-pyrimidinetrione743-42-02,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dicyclohexyl-5-propyl-DTXSID002253125-24-09-00128 (Beilstein Handbook Reference)RefChem:320609DTXCID001478031,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
743-42-0- PubChem CID
- 12935
- DTXSID
DTXSID00225312- Nikkaji
- J105.449J
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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