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 | C14H19N3 |
| Molecular Weight | 229.32 g/mol |
| Exact Mass | 229.1579 Da |
| InChI |
InChI=1S/C14H19N3/c1-16-7-8-17-12-5-6-15-9-11(12)10-3-2-4-13(16)14(10)17/h2-4,11-12,15H,5-9H2,1H3/t11-,12-/m0/s1
|
| InChIKey |
QLGUCSLWLPCOTR-RYUDHWBXSA-N
|
| SMILES |
CN1CCN2[C@@]3([H])CCNC[C@@]3([H])C4=CC=CC1=C42
|
| Number of Atoms | 36 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 8 |
| XLogP | 1.4 |
