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 | C19H14Cl2N2O3S |
| Molecular Weight | 421.30 g/mol |
| Exact Mass | 420.0102 Da |
| InChI |
InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)
|
| InChIKey |
BPQMGSKTAYIVFO-UHFFFAOYSA-N
|
| SMILES |
CS(=O)(=O)C1=CC=C(C(=C1)Cl)C(=O)NC2=CC=C(C(=C2)C3=NC=CC=C3)Cl
|
| Number of Atoms | 41 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 24 |
| XLogP | 1.6 |
