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 | C22H19N3O2 |
| Molecular Weight | 357.41 g/mol |
| Exact Mass | 357.1477 Da |
| InChI |
InChI=1S/C22H19N3O2/c26-12-11-23-20-14-18(16-7-3-1-4-8-16)13-19(15-20)22-24-21(25-27-22)17-9-5-2-6-10-17/h1-10,13-15,23,26H,11-12H2
|
| InChIKey |
OATDTSAEOFNBGX-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)C2=CC(=CC(=C2)NCCO)C3=NC(=NO3)C4=CC=CC=C4
|
| Number of Atoms | 46 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 24 |
| XLogP | 3.3 |
