New synthesis of a late-stage tetracyclic key intermediate of lumateperone
Mátyás Milen, Bálint Nyulasi, Tamás Nagy, Gyula Simig and Balázs Volk
Beilstein J. Org. Chem. 2022, 18, 653–659.
https://doi.org/10.3762/bjoc.18.66
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C17H21N3O3 |
| Molecular Weight | 315.37 g/mol |
| Exact Mass | 315.1583 Da |
| InChI |
InChI=1S/C17H21N3O3/c1-3-23-17(22)19-8-7-13-12(9-19)11-5-4-6-14-16(11)20(13)10-15(21)18(14)2/h4-6,12-13H,3,7-10H2,1-2H3/t12-,13-/m0/s1
|
| InChIKey |
FAGHUWIRBRMPCV-STQMWFEESA-N
|
| SMILES |
CCOC(=O)N1CC[C@@]2([H])[C@@]([H])(C1)C3=CC=CC4=C3N2CC(=O)N4C
|
| Number of Atoms | 44 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 10 |
| XLogP | 0.7 |
