Basic information
- Standard SMILES
COC(=O)CCNCc1cc(Cl)ccc1OCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C- InChIKey
WZAYOVDWCORJBX-UHFFFAOYSA-N- Molecular formula
- C26H33ClFN3O4
- Average molar mass
- 506 g/mol
- Monoisotopic mass
- 505.2143624
Names & identifiers
- IUPAC
- methyl 3-[[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]methylamino]propanoate
Database identifiers
- PubChem CID
- 77696345
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 679
Related reactions
1 records
Compound notes
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