2-hydroxy-N-[[5-(2-methoxyphenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]benzamide
Basic information
- CAS
79452-79-2- Standard SMILES
COc1ccccc1[B-]12OCC[N+]1(CNC(=O)c1ccccc1O)CCO2- InChIKey
YWMTZFMPNLNVIO-UHFFFAOYSA-N- Molecular formula
- C19H23BN2O5
- Average molar mass
- 370.2 g/mol
- Monoisotopic mass
- 370.170002
Names & identifiers
- Preferred name
- 2-hydroxy-N-[[5-(2-methoxyphenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]benzamide
- IUPAC
- 2-hydroxy-N-[[1-(2-methoxyphenyl)-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl]methyl]benzamide
Names & synonyms
79452-79-2NSC3372752-hydroxy-N-[[5-(2-methoxyphenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]benzamideDTXSID50330940NSC-337275[2,2'-{[(2-Hydroxybenzamido)methyl]azanediyl-kappaN}di(ethan-1-olato-kappaO)](2-methoxyphenyl)boron
Database identifiers
- CAS
79452-79-2- PubChem CID
- 433725
- DTXSID
DTXSID50330940
Properties
Computed structural properties
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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