Basic information
- Standard SMILES
O=C(c1ccc(-c2ccccn2)cc1)N1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1- InChIKey
OZKAHYVHLRHETA-UHFFFAOYSA-N- Molecular formula
- C26H22BrN3O3S
- Average molar mass
- 536.4 g/mol
- Monoisotopic mass
- 535.05653
Names & identifiers
- Preferred name
- 1-(6-Bromonaphth-2-ylsulphonyl)-4-[4-(2-pyridyl)benzoyl]piperazine
- IUPAC
- [4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone
Names & synonyms
SCHEMBL6306256OZKAHYVHLRHETA-UHFFFAOYSA-N1-(6-bromonaphth-2-ylsulphonyl)-4-[4-(2-pyridyl)benzoyl]piperazine
Database identifiers
- PubChem CID
- 22329752
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 803
Related reactions
2 records
Compound notes
Loading…