Basic information
- CAS
5148-23-2- Standard SMILES
CCCCCC1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O- InChIKey
JWQYKFIJMDTUFX-UHFFFAOYSA-N- Molecular formula
- C21H22N2O3
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.16304257
Names & identifiers
- Preferred name
- Barbituric acid, 1,3-diphenyl-5-pentyl-
- IUPAC
- 5-pentyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Pentyl-1,3-diphenylbarbituric acid
- Molecular formula
- C21H22N2O3
- Molecular weight
- 350.41
Names & synonyms
Barbituric acid, 1,3-diphenyl-5-pentyl-5148-23-2BRN 07654971,3-Diphenyl-5-pentylbarbituric acid5-pentyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione1,3-Diphenyl-5-pentyl-2,4,6(1H,3H,5H)-pyrimidinetrioneDTXSID301994515-Pentyl-1,3-diphenylbarbituric acid2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-pentyl-1,3-diphenyl-
Database identifiers
- CAS
5148-23-2- PubChem CID
- 199866
- DTXSID
DTXSID30199451- Nikkaji
- J54.575I
Properties
Computed structural properties
- XLogP
- 4.9
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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