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 | C16H17N3O3 |
| Molecular Weight | 299.33 g/mol |
| Exact Mass | 299.1270 Da |
| InChI |
InChI=1S/C16H17N3O3/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/h3-5H,2,6-9H2,1H3,(H,17,20)
|
| InChIKey |
IIOWSVKQLNZUKM-UHFFFAOYSA-N
|
| SMILES |
CCOC(=O)N1CCC2=C(C1)C3=C4C(=CC=C3)NC(=O)CN24
|
| Number of Atoms | 39 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 12 |
| XLogP | 0.5 |
