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 | C18H18F3N3O3 |
| Molecular Weight | 381.35 g/mol |
| Exact Mass | 381.1300 Da |
| InChI |
InChI=1S/C18H18F3N3O3/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/h3-5H,2,6-10H2,1H3
|
| InChIKey |
YTFVWNPRZYBOFM-UHFFFAOYSA-N
|
| SMILES |
CCOC(=O)N1CCC2=C(C1)C3=C4C(=CC=C3)N(CCN24)C(=O)C(F)(F)F
|
| Number of Atoms | 45 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 12 |
| XLogP | 1.7 |
