Basic information
- Standard SMILES
CCOC(=O)C=Cc1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C- InChIKey
MLFWGWGRXHPAIO-RBUKOAKNSA-N- Molecular formula
- C26H30ClFN2O4
- Average molar mass
- 489 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)-acrylic Acid Ethyl Ester
- IUPAC
- ethyl 3-[5-chloro-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]prop-2-enoate
Names & synonyms
SCHEMBL6076391MLFWGWGRXHPAIO-RBUKOAKNSA-N3-(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-acrylic Acid Ethyl Ester
Database identifiers
- PubChem CID
- 69655433
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 700
Related reactions
2 records
Compound notes
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