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 | C8H10N2 |
| Molecular Weight | 134.18 g/mol |
| Exact Mass | 134.0844 Da |
| InChI |
InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9-10H,5-6H2
|
| InChIKey |
HORKYAIEVBUXGM-UHFFFAOYSA-N
|
| SMILES |
C1=CC2=C(C=C1)NCCN2
|
| Number of Atoms | 20 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 8 |
| XLogP | 0.5 |