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 | C16H21N3O2 |
| Molecular Weight | 287.36 g/mol |
| Exact Mass | 287.1634 Da |
| InChI |
InChI=1S/C16H21N3O2/c1-2-21-16(20)18-8-6-14-12(10-18)11-4-3-5-13-15(11)19(14)9-7-17-13/h3-5,12,14,17H,2,6-10H2,1H3/t12-,14-/m0/s1
|
| InChIKey |
SWTLTYLHHUNZMX-JSGCOSHPSA-N
|
| SMILES |
CCOC(=O)N1CC[C@@]2([H])[C@@]([H])(C1)C3=CC=CC4=C3N2CCN4
|
| Number of Atoms | 42 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 8 |
| XLogP | 1.3 |
