Basic information
- Standard SMILES
CCOC(=O)[C@H](CC)N1C(=O)CC[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cn1- InChIKey
OGLSVSIQRHWLOZ-LMNJBCLMSA-N- Molecular formula
- C22H24Cl2N2O3
- Average molar mass
- 435.3 g/mol
Names & identifiers
- Preferred name
- (S)-Ethyl 2-((2S,3R)-3-(3-chlorophenyl)-2-(5-chloropyridin-2-yl)-6-oxopiperidin-1-yl)butanoate
- IUPAC
- ethyl (2S)-2-[(2S,3R)-3-(3-chlorophenyl)-2-(5-chloro-2-pyridinyl)-6-oxopiperidin-1-yl]butanoate
Names & synonyms
SCHEMBL15354768OGLSVSIQRHWLOZ-LMNJBCLMSA-N(S)-Ethyl 2-((2S,3R)-3-(3-chlorophenyl)-2-(5-chloropyridin-2-yl)-6-oxopiperidin-1-yl)butanoate
Database identifiers
- PubChem CID
- 86660723
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 576
Related reactions
4 records
Compound notes
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