1-(4-Phenoxybutyl)-5-phenylpyrimidine-2,4-dione
Basic information
- CAS
17710-96-2- Standard SMILES
O=c1[nH]c(=O)n(CCCCOc2ccccc2)cc1-c1ccccc1- InChIKey
LDPMMPPYUNIZPH-UHFFFAOYSA-N- Molecular formula
- C20H20N2O3
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.1473925
Names & identifiers
- Preferred name
- 1-(4-Phenoxybutyl)-5-phenylpyrimidine-2,4-dione
- IUPAC
- 1-(4-phenoxybutyl)-5-phenylpyrimidine-2,4-dione
Names & synonyms
NSC21182317710-96-2DTXSID40309347NSC-2118231-(4-Phenoxybutyl)-5-phenylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
17710-96-2- PubChem CID
- 309527
- DTXSID
DTXSID40309347
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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