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 | C9H12N2 |
| Molecular Weight | 148.21 g/mol |
| Exact Mass | 148.1001 Da |
| InChI |
InChI=1S/C9H12N2/c1-11-7-6-10-8-4-2-3-5-9(8)11/h2-5,10H,6-7H2,1H3
|
| InChIKey |
SXLZJUPRTINRQQ-UHFFFAOYSA-N
|
| SMILES |
CN1CCNC2=C1C=CC=C2
|
| Number of Atoms | 23 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 8 |
| XLogP | 1.2 |