Basic information
- Standard SMILES
C[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)[C@@H](C)CN1Cc1ccc(F)cc1- InChIKey
ACJXMIUJXJMVBX-CABCVRRESA-N- Molecular formula
- C22H22BrFN2O2
- Average molar mass
- 445.3 g/mol
- Monoisotopic mass
- 444.08487
Names & identifiers
- Preferred name
- (trans)-1-(5-Bromo-benzofuran-2-yl-carbonyl)-4-(4-fluorobenzyl)-2,5-dimethylpiperazine
- IUPAC
- (5-bromo-1-benzofuran-2-yl)-[(2S,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]methanone
Names & synonyms
SCHEMBL4985768ACJXMIUJXJMVBX-CABCVRRESA-N(trans)-1-(5-Bromo-benzofuran-2-yl-carbonyl)-4-(4-fluorobenzyl)-2,5-dimethylpiperazine
Database identifiers
- PubChem CID
- 11385259
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 557
Related reactions
1 records
Compound notes
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