Heterocycle-guided synthesis of m-hetarylanilines via three-component benzannulation
Andrey R. Galeev, Maksim V. Dmitriev, Alexander S. Novikov and Andrey N. Maslivets
Beilstein J. Org. Chem. 2024, 20, 2208–2216.
https://doi.org/10.3762/bjoc.20.188
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C26H19N3O2 |
| Molecular Weight | 405.45 g/mol |
| Exact Mass | 405.1477 Da |
| InChI |
InChI=1S/C26H19N3O2/c30-24-14-8-7-13-23(24)27-22-16-20(18-9-3-1-4-10-18)15-21(17-22)26-28-25(29-31-26)19-11-5-2-6-12-19/h1-17,27,30H
|
| InChIKey |
ZOXKUEFTEOQRBV-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)C2=CC(=CC(=C2)NC3=C(C=CC=C3)O)C4=NC(=NO4)C5=CC=CC=C5
|
| Number of Atoms | 50 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 31 |
| XLogP | 5.0 |
