Basic information
- Standard SMILES
CC1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
ABOCMZKXTSZHDI-UHFFFAOYSA-N- Molecular formula
- C20H21ClFN3O4
- Average molar mass
- 421.8 g/mol
Names & identifiers
- Preferred name
- 2-(4-Chloro-2-nitrophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
- IUPAC
- 2-(4-chloro-2-nitrophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
Database identifiers
- PubChem CID
- 21973487
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 570
Related reactions
2 records
Compound notes
Loading…