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Basic information
- Standard SMILES
C=CC[C@H]1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CC)C(=O)O)C1=O- InChIKey
GZFBSLRICNXODX-ZHNGQKSSSA-N- Molecular formula
- C24H25Cl2NO3
- Average molar mass
- 446.4 g/mol
Names & identifiers
- Preferred name
- (R)-2-((3S,5R,6S)-3-allyl-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-1-yl)butanoic acid
- IUPAC
- (2R)-2-[(2S,3R,5S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-6-oxo-5-prop-2-enylpiperidin-1-yl]butanoic acid
Names & synonyms
SCHEMBL9990809GZFBSLRICNXODX-ZHNGQKSSSA-N(R)-2-((3S,5R,6S)-3-allyl-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-1-yl)butanoic acid
Database identifiers
- PubChem CID
- 67998635
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 620
Related reactions
2 records
Compound notes
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