2-hydroxy-N-[(1-phenyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl)methyl]benzamide
Basic information
- CAS
79499-89-1- Standard SMILES
O=C(NC[N+]12CCO[B-]1(c1ccccc1)OCC2)c1ccccc1O- InChIKey
YWZQZVZYTKTMMW-UHFFFAOYSA-N- Molecular formula
- C18H21BN2O4
- Average molar mass
- 340.2 g/mol
- Monoisotopic mass
- 340.1594373
Names & identifiers
- Preferred name
- 2-hydroxy-N-[(1-phenyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl)methyl]benzamide
- IUPAC
- 2-hydroxy-N-[(1-phenyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl)methyl]benzamide
Names & synonyms
79499-89-1NSC337266DTXSID80330933NSC-337266[2,2'-{[(2-Hydroxybenzamido)methyl]azanediyl-kappaN}di(ethan-1-olato-kappaO)]phenylboron[N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzamidato(2-)](phenyl)boron
Database identifiers
- CAS
79499-89-1- PubChem CID
- 433716
- DTXSID
DTXSID80330933
Properties
Computed structural properties
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 487
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Compound notes
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