Basic information
- Standard SMILES
C=CC[C@@H]1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](C=O)CC)C1=O- InChIKey
RTCUJDSTTQWPDI-YJSIEXFISA-N- Molecular formula
- C24H25Cl2NO2
- Average molar mass
- 430.4 g/mol
Names & identifiers
- Preferred name
- (S)-2-((3R,5R,6S)-3-allyl-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-1-yl)butanal
- IUPAC
- (2S)-2-[(2S,3R,5R)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-6-oxo-5-prop-2-enylpiperidin-1-yl]butanal
Names & synonyms
SCHEMBL9992364RTCUJDSTTQWPDI-YJSIEXFISA-N(S)-2-((3R,5R,6S)-3-allyl-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-1-yl)butanal
Database identifiers
- PubChem CID
- 86660727
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 575
Related reactions
4 records
Compound notes
Loading…