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 | C24H21N3O2 |
| Molecular Weight | 383.44 g/mol |
| Exact Mass | 383.1634 Da |
| InChI |
InChI=1S/C24H21N3O2/c1-3-7-18(8-4-1)20-15-21(17-22(16-20)27-11-13-28-14-12-27)24-25-23(26-29-24)19-9-5-2-6-10-19/h1-10,15-17H,11-14H2
|
| InChIKey |
OOUXDUZXUHJQNR-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)C2=CC(=CC(=C2)N3CCOCC3)C4=NC(=NO4)C5=CC=CC=C5
|
| Number of Atoms | 50 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 24 |
| XLogP | 4.3 |
