Basic information
- Standard SMILES
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1N- InChIKey
MMUYKPOLYWHQLP-LSDHHAIUSA-N- Molecular formula
- C21H25ClFN3O2
- Average molar mass
- 405.9 g/mol
Names & identifiers
- Preferred name
- 2-(2-amino-4-chloro-phenoxy)-1-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-ethanone
- IUPAC
- 2-(2-amino-4-chlorophenoxy)-1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
Names & synonyms
SCHEMBL4588753(2R, 5S)-2-(2-Amino-4-chloro-phenoxy)-1-[4-(4-fluoro-benzyl)-2,5-dimethyl-piperazin-1-yl]-ethanone2-(2-amino-4-chloro-phenoxy)-1-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-ethanone2-(2-Amino-4-Chloro-Phenoxy)-1-[4-(4-Fluoro-Benzyl)-(2R,5S)-2.5-Dimethyl-Piperazin-1-Yl]-Ethanone
Database identifiers
- PubChem CID
- 54080593
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 518
Related reactions
4 records
Compound notes
Loading…