Barbituric acid, 1,3-dicyclohexyl-5-pentyl-
Basic information
- CAS
857-31-8- Standard SMILES
CCCCCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O- InChIKey
FIGXAXHTWHEEOX-UHFFFAOYSA-N- Molecular formula
- C21H34N2O3
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.25694295
Names & identifiers
- Preferred name
- Barbituric acid, 1,3-dicyclohexyl-5-pentyl-
- IUPAC
- 1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BRN 07642151,3-Dicyclohexyl-5-pentylbarbituric acidBARBITURIC ACID, 1,3-DICYCLOHEXYL-5-PENTYL-857-31-81,3-Dicyclohexyl-5-pentyl-2,4,6(1H,3H,5H)-pyrimidinetrioneDTXSID402349885-24-09-00155 (Beilstein Handbook Reference)RefChem:320607DTXCID701574791,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
857-31-8- PubChem CID
- 13332
- DTXSID
DTXSID40234988- Nikkaji
- J54.560K
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 481
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Compound notes
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