1,3-Propanedione, 1-(4-methyl-2-pyridinyl)-3-(3-(phenylmethyl)phenyl)-
Basic information
- CAS
317332-83-5- Standard SMILES
Cc1ccnc(C(=O)CC(=O)c2cccc(Cc3ccccc3)c2)c1- InChIKey
FQCWXXQNGKKETK-UHFFFAOYSA-N- Molecular formula
- C22H19NO2
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.14157885
Names & identifiers
- Preferred name
- 1,3-Propanedione, 1-(4-methyl-2-pyridinyl)-3-(3-(phenylmethyl)phenyl)-
- IUPAC
- 1-(3-benzylphenyl)-3-(4-methyl-2-pyridinyl)propane-1,3-dione
Names & synonyms
1,3-Diketone A317332-83-51,3-Propanedione, 1-(4-methyl-2-pyridinyl)-3-(3-(phenylmethyl)phenyl)-1,3-Propanedione, 1-(4-methyl-2-pyridinyl)-3-[3-(phenylmethyl)phenyl]-1-(3-benzylphenyl)-3-(4-methylpyridin-2-yl)propane-1,3-dioneSCHEMBL7077794SCHEMBL30051212DTXSID00185624FQCWXXQNGKKETK-UHFFFAOYSA-N1-(3-benzylphenyl)-3-(4-methyl-2-pyridyl)propane-1,3-dione1-(3-Benzylphenyl)-3-(4-methylpyridin-2-yl)-propane-1,3-dione
Database identifiers
- CAS
317332-83-5- PubChem CID
- 457919
- DTXSID
DTXSID00185624
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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