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Basic information
- Standard SMILES
CCC(CC(C)O)N1C(=O)C(C)(CC(=O)O)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1- InChIKey
LWEGKSSGTVFZQX-UHFFFAOYSA-N- Molecular formula
- C26H31Cl2NO4
- Average molar mass
- 492.4 g/mol
- Monoisotopic mass
- 491.1630139
Names & identifiers
- Preferred name
- 2-[5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
- IUPAC
- 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
Names & synonyms
SCHEMBL9994432
Database identifiers
- PubChem CID
- 68001200
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 683
Related reactions
1 records
Compound notes
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