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 | C18H20F3N3O3 |
| Molecular Weight | 383.37 g/mol |
| Exact Mass | 383.1457 Da |
| InChI |
InChI=1S/C18H20F3N3O3/c1-2-27-17(26)22-7-6-13-12(10-22)11-4-3-5-14-15(11)23(13)8-9-24(14)16(25)18(19,20)21/h3-5,12-13H,2,6-10H2,1H3/t12-,13-/m0/s1
|
| InChIKey |
FEFLGHBJBKWHKA-STQMWFEESA-N
|
| SMILES |
CCOC(=O)N1CC[C@@]2([H])[C@@]([H])(C1)C3=CC=CC4=C3N2CCN4C(=O)C(F)(F)F
|
| Number of Atoms | 47 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 10 |
| XLogP | 1.8 |
