Basic information
- Standard SMILES
CCOC(=O)C(C)Oc1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C- InChIKey
OHIJMPAFVPWQJW-PAMZHZACSA-N- Molecular formula
- C26H32ClFN2O5
- Average molar mass
- 507 g/mol
Names & identifiers
- Preferred name
- 2-(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-phenoxy)-propionic Acid Ethyl Ester
- IUPAC
- ethyl 2-[5-chloro-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenoxy]propanoate
Names & synonyms
SCHEMBL6076853OHIJMPAFVPWQJW-PAMZHZACSA-N2-(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-phenoxy)-propionic Acid Ethyl Ester2-(5-Chloro-2-{2-[4-(4-Fluoro-Benzyl)-(2R,5S)-2.5-Dimethyl-Piperazin-1-Yl]-2-Oxo-Ethoxy}-Phenoxy)-Propionic Acid Ethyl Ester
Database identifiers
- PubChem CID
- 69655586
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 693
Related reactions
2 records
Compound notes
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