2-hydroxy-N-[[5-(3-methylphenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]benzamide
Basic information
- CAS
79484-63-2- Standard SMILES
Cc1cccc([B-]23OCC[N+]2(CNC(=O)c2ccccc2O)CCO3)c1- InChIKey
OJOGVHQHBXYTJJ-UHFFFAOYSA-N- Molecular formula
- C19H23BN2O4
- Average molar mass
- 354.2 g/mol
- Monoisotopic mass
- 354.1750874
Names & identifiers
- Preferred name
- 2-hydroxy-N-[[5-(3-methylphenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]benzamide
- IUPAC
- 2-hydroxy-N-[[1-(3-methylphenyl)-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl]methyl]benzamide
Names & synonyms
79484-63-2NSC3372722-hydroxy-N-[[5-(3-methylphenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]benzamideDTXSID80330938NSC-337272[2,2'-{[(2-Hydroxybenzamido)methyl]azanediyl-kappaN}di(ethan-1-olato-kappaO)](3-methylphenyl)boron
Database identifiers
- CAS
79484-63-2- PubChem CID
- 433722
- DTXSID
DTXSID80330938
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
- 522
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Related reactions
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Compound notes
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