Basic information
- Standard SMILES
COC(=O)COc1cc(C)ccc1CCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C- InChIKey
XWGQBRIXAXOGOH-VQTJNVASSA-N- Molecular formula
- C26H33FN2O4
- Average molar mass
- 456.5 g/mol
Names & identifiers
- Preferred name
- (2-{3-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-3-oxo-propyl}-5-methyl-phenoxy)-acetic acid methyl ester
- IUPAC
- methyl 2-[2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-3-oxopropyl]-5-methylphenoxy]acetate
Names & synonyms
SCHEMBL6076185XWGQBRIXAXOGOH-VQTJNVASSA-N(2-[3-[4-(4-Fluoro-Benzyl)-(2R,5S)-2.5-Dimethyl-Piperazin-1-Yl]-3-Oxo-Propyl}-5-Methyl-Phenoxy)-Acetic Acid Methyl Ester(2-{3-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-3-oxo-propyl}-5-methyl-phenoxy)-acetic acid methyl ester
Database identifiers
- PubChem CID
- 69655358
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 640
Related reactions
2 records
Compound notes
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