2-hydroxy-N-[[1-(3-methoxyphenyl)-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl]methyl]benzamide
Basic information
- CAS
79484-64-3- Standard SMILES
COc1cccc([B-]23OCC[N+]2(CNC(=O)c2ccccc2O)CCO3)c1- InChIKey
KVCNUTJBDAZYLK-UHFFFAOYSA-N- Molecular formula
- C19H23BN2O5
- Average molar mass
- 370.2 g/mol
- Monoisotopic mass
- 370.170002
Names & identifiers
- Preferred name
- 2-hydroxy-N-[[1-(3-methoxyphenyl)-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl]methyl]benzamide
- IUPAC
- 2-hydroxy-N-[[1-(3-methoxyphenyl)-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl]methyl]benzamide
Names & synonyms
79484-64-3NSC337273DTXSID40330939NSC-337273[2,2'-{[(2-Hydroxybenzamido)methyl]azanediyl-kappaN}di(ethan-1-olato-kappaO)](3-methoxyphenyl)boron[N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzamidato(2-)](3-methoxyphenyl)boron
Database identifiers
- CAS
79484-64-3- PubChem CID
- 433723
- DTXSID
DTXSID40330939
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
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…