Basic information
- Standard SMILES
O=C(COCC1CCCCN1S(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccncc2)CC1- InChIKey
NDGSUKNCWJHFNS-UHFFFAOYSA-N- Molecular formula
- C23H29BrN4O4S
- Average molar mass
- 537.5 g/mol
- Monoisotopic mass
- 536.10929
Names & identifiers
- Preferred name
- 2-[[1-(4-Bromophenyl)sulfonylpiperidin-2-yl]methoxy]-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
- IUPAC
- 2-[[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methoxy]-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
Names & synonyms
SCHEMBL2563795
Database identifiers
- PubChem CID
- 67453340
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 727
Related reactions
1 records
Compound notes
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