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 | C24H28FN3O |
| Molecular Weight | 393.50 g/mol |
| Exact Mass | 393.2216 Da |
| InChI |
InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3/t20-,21-/m0/s1
|
| InChIKey |
HOIIHACBCFLJET-SFTDATJTSA-N
|
| SMILES |
CN1CCN2[C@@]3([H])CCN(CCCC(=O)C4=CC=C(C=C4)F)C[C@@]3([H])C5=CC=CC1=C52
|
| Number of Atoms | 57 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 8 |
| XLogP | 2.3 |
