Basic information
- Standard SMILES
O=C(O)C1CCCN(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1- InChIKey
BNOAYSNHBJFUJJ-UHFFFAOYSA-N- Molecular formula
- C21H20Cl2N2O3
- Average molar mass
- 419.3 g/mol
- Monoisotopic mass
- 418.0850979
Names & identifiers
- Preferred name
- Rac-1-[6-chloro-3-(3-chloro-benzyl)-2-oxo-2,3-dihydro-1h-indol-3-yl]-piperidine-3-carboxylic acid
- IUPAC
- 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidine-3-carboxylic acid
Names & synonyms
SCHEMBL1322760BNOAYSNHBJFUJJ-UHFFFAOYSA-Nrac-1-[6-chloro-3-(3-chloro-benzyl)-2-oxo-2,3-dihydro-1h-indol-3-yl]-piperidine-3-carboxylic acid
Database identifiers
- PubChem CID
- 24950102
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 618
Related reactions
1 records
Compound notes
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