Basic information
- Standard SMILES
Br.Br.CC(C)(Oc1ccc(C(=O)CN2CCN(c3ccncc3)CC2)cc1)C(=O)O- InChIKey
JXEMCHNNMJDUTO-UHFFFAOYSA-N- Molecular formula
- C21H27Br2N3O4
- Average molar mass
- 545.3 g/mol
Names & identifiers
- Preferred name
- 2-[4-[2-[4-(4-Pyridyl)piperazin-1-yl]acetyl]phenoxy]-isobutyric acid, dihydrobromide
- IUPAC
- 2-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]propanoic acid;dihydrobromide
Names & synonyms
JXEMCHNNMJDUTO-UHFFFAOYSA-N2-[4-[2-[4-(4-Pyridyl)piperazin-1-yl]acetyl]phenoxy]-isobutyric acid, dihydrobromide2-[4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenoxy]isobutyric acid, dihydrobromide
Database identifiers
- PubChem CID
- 131720105
Properties
Computed structural properties
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 532
Related reactions
5 records
Compound notes
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