Basic information
- Standard SMILES
C=CCC1CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CC)C(=O)OC)C1=O- InChIKey
RVQRZDKEOMKKSY-UHFFFAOYSA-N- Molecular formula
- C25H27Cl2NO3
- Average molar mass
- 460.4 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[3-(3-chlorophenyl)-2-(4-chlorophenyl)-6-oxo-5-prop-2-enylpiperidin-1-yl]butanoate
- IUPAC
- methyl 2-[3-(3-chlorophenyl)-2-(4-chlorophenyl)-6-oxo-5-prop-2-enylpiperidin-1-yl]butanoate
Database identifiers
- PubChem CID
- 76834658
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 634
Related reactions
2 records
Compound notes
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