Basic information
- CAS
79484-60-9- Standard SMILES
Cc1ccc([B-]23OCC[N+]2(CNC(=O)c2ccccc2O)CCO3)cc1- InChIKey
TUTFPXYVIOYLLO-UHFFFAOYSA-N- Molecular formula
- C19H23BN2O4
- Average molar mass
- 354.2 g/mol
- Monoisotopic mass
- 354.1750874
Names & identifiers
- Preferred name
- 2-hydroxy-N-[[5-(4-methylphenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]benzamide
- IUPAC
- 2-hydroxy-N-[[1-(4-methylphenyl)-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl]methyl]benzamide
Names & synonyms
79484-60-9NSC3372702-hydroxy-N-[[5-(4-methylphenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]benzamideDTXSID60330936NSC-337270[2,2'-{[(2-Hydroxybenzamido)methyl]azanediyl-kappaN}di(ethan-1-olato-kappaO)](4-methylphenyl)boron
Database identifiers
- CAS
79484-60-9- PubChem CID
- 433720
- DTXSID
DTXSID60330936
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
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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