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 | C16H19N3O3 |
| Molecular Weight | 301.34 g/mol |
| Exact Mass | 301.1426 Da |
| InChI |
InChI=1S/C16H19N3O3/c1-2-22-16(21)18-7-6-13-11(8-18)10-4-3-5-12-15(10)19(13)9-14(20)17-12/h3-5,11,13H,2,6-9H2,1H3,(H,17,20)/t11-,13-/m0/s1
|
| InChIKey |
QXNQHNWWRRMQPS-AAEUAGOBSA-N
|
| SMILES |
CCOC(=O)N1CC[C@@]2([H])[C@@]([H])(C1)C3=CC=CC4=C3N2CC(=O)N4
|
| Number of Atoms | 41 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 10 |
| XLogP | 0.6 |
