Basic information
- CAS
21330-98-3- Standard SMILES
CCCCC1C(=O)NC(=O)N(C2CCC(OC(=O)c3ccccc3)CC2)C1=O- InChIKey
BOCFDPNAAMHRMT-UHFFFAOYSA-N- Molecular formula
- C21H26N2O5
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.18417193
Names & identifiers
- Preferred name
- 4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate
- IUPAC
- [4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] benzoate
- English name
- 1-(4-Benzoyloxycyclohexyl)-5-butylbarbituric acid
- Molecular formula
- C21H26N2O5
- Molecular weight
- 386.44
Names & synonyms
21330-98-3DTXSID209438894-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoateRefChem:1069999DTXCID601372248BRN 07197981-(4-Benzoyloxycyclohexyl)-5-butylbarbituric acid5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid benzoate (ester)1-(4-Benzoyloxycyclohexyl)-5-butylperhydropyrimidine-2,4,5-trioneBARBITURIC ACID, 5-BUTYL-1-(4-HYDROXYCYCLOHEXYL)-, BENZOATE (ester)2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-[4-(benzoyloxy)cyclohexyl]-5-butyl-
Database identifiers
- CAS
21330-98-3- PubChem CID
- 30596
- DTXSID
DTXSID20943889- Nikkaji
- J62.429B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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