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 | C26H19N3O |
| Molecular Weight | 389.45 g/mol |
| Exact Mass | 389.1528 Da |
| InChI |
InChI=1S/C26H19N3O/c1-4-10-19(11-5-1)21-16-22(18-24(17-21)27-23-14-8-3-9-15-23)26-28-25(29-30-26)20-12-6-2-7-13-20/h1-18,27H
|
| InChIKey |
VMTUQANJWPBJGK-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)C2=CC(=CC(=C2)NC3=CC=CC=C3)C4=NC(=NO4)C5=CC=CC=C5
|
| Number of Atoms | 49 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 30 |
| XLogP | 4.9 |
