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Basic information
- Standard SMILES
CC[C@H](C(=O)OC(C)(C)C)N1C(=O)CC[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1- InChIKey
PMPTUTXBCGBQHH-MQSCRBSSSA-N- Molecular formula
- C25H29Cl2NO3
- Average molar mass
- 462.4 g/mol
Names & identifiers
- Preferred name
- tert-butyl (2R)-2-((2S,3R)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-6-oxo-1-piperidinyl)butanoate
- IUPAC
- tert-butyl (2R)-2-[(2S,3R)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-6-oxopiperidin-1-yl]butanoate
Names & synonyms
SCHEMBL29681897PMPTUTXBCGBQHH-MQSCRBSSSA-Ntert-butyl (2R)-2-((2S,3R)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-6-oxo-1-piperidinyl)butanoate
Database identifiers
- PubChem CID
- 86660715
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 627
Related reactions
1 records
Compound notes
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