Basic information
- CAS
745-32-4- Standard SMILES
CC(C)CC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O- InChIKey
PEFJPFCZDCYQSO-UHFFFAOYSA-N- Molecular formula
- C20H32N2O3
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.24129289
Names & identifiers
- Preferred name
- Barbituric acid, 1,3-dicyclohexyl-5-isobutyl-
- IUPAC
- 1,3-dicyclohexyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
- English name
- 1,3-Dicyclohexyl-5-isobutylbarbituric acid
- Molecular weight
- 0
Names & synonyms
BRN 07635811,3-Dicyclohexyl-5-isobutylbarbituric acid745-32-4BARBITURIC ACID, 1,3-DICYCLOHEXYL-5-ISOBUTYL-1,3-Dicyclohexyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrioneDTXSID002254982,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dicyclohexyl-5-isobutyl-5-24-09-00136 (Beilstein Handbook Reference)RefChem:320605DTXCID001479891,3-dicyclohexyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
745-32-4- PubChem CID
- 12940
- DTXSID
DTXSID00225498- Nikkaji
- J105.448A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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