Basic information
- Standard SMILES
C=CCC1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cn2)N([C@H](C=O)CC)C1=O- InChIKey
KTAQUOLZQIMVCI-XTBGBBATSA-N- Molecular formula
- C24H26Cl2N2O2
- Average molar mass
- 445.4 g/mol
Names & identifiers
- Preferred name
- (S)-2-((5R,6S)-3-Allyl-5-(3-chlorophenyl)-6-(5-chloropyridin-2-yl)-3-methyl-2-oxopiperidin-1-yl)butanal
- IUPAC
- (2S)-2-[(5R,6S)-5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butanal
Names & synonyms
SCHEMBL9993733KTAQUOLZQIMVCI-XTBGBBATSA-N(S)-2-((5R,6S)-3-Allyl-5-(3-chlorophenyl)-6-(5-chloropyridin-2-yl)-3-methyl-2-oxopiperidin-1-yl)butanal
Database identifiers
- PubChem CID
- 86660725
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 630
Related reactions
2 records
Compound notes
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