Basic information
- Standard SMILES
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1CCC(=O)O- InChIKey
MRRVWSGAWKHDRP-DLBZAZTESA-N- Molecular formula
- C24H28ClFN2O4
- Average molar mass
- 462.9 g/mol
Names & identifiers
- Preferred name
- 3-(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-propionic Acid
- IUPAC
- 3-[5-chloro-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]propanoic acid
Names & synonyms
SCHEMBL6077257MRRVWSGAWKHDRP-DLBZAZTESA-N3-(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-propionic Acid
Database identifiers
- PubChem CID
- 69655712
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 631
Related reactions
2 records
Compound notes
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