N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide
Basic information
- CAS
79484-58-5- Standard SMILES
O=C(NC[N+]12CCO[B-]1(c1ccc(Br)cc1)OCC2)c1ccccc1O- InChIKey
KJDLHCXWKRUPJD-UHFFFAOYSA-N- Molecular formula
- C18H20BBrN2O4
- Average molar mass
- 419.1 g/mol
- Monoisotopic mass
- 418.06995
Names & identifiers
- Preferred name
- N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide
- IUPAC
- N-[[1-(4-bromophenyl)-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl]methyl]-2-hydroxybenzamide
Names & synonyms
79484-58-5NSC337268N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamideDTXSID40330934NSC-337268(4-Bromophenyl)[2,2'-{[(2-hydroxybenzamido)methyl]azanediyl-kappaN}di(ethan-1-olato-kappaO)]boron
Database identifiers
- CAS
79484-58-5- PubChem CID
- 433718
- DTXSID
DTXSID40330934
Properties
Computed structural properties
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 519
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Compound notes
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