Basic information
- Standard SMILES
C[C@]1(CC=O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(c2ccncn2)C1=O- InChIKey
CVQADKQIDHIMLR-BKULYWANSA-N- Molecular formula
- C24H21Cl2N3O2
- Average molar mass
- 454.3 g/mol
Names & identifiers
- Preferred name
- 2-((3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(pyrimidin-4-yl)piperidin-3-yl)acetaldehyde
- IUPAC
- 2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-pyrimidin-4-ylpiperidin-3-yl]acetaldehyde
Names & synonyms
SCHEMBL9991471CVQADKQIDHIMLR-BKULYWANSA-N2-((3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(pyrimidin-4-yl)piperidin-3-yl)acetaldehyde
Database identifiers
- PubChem CID
- 86660721
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 642
Related reactions
4 records
Compound notes
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