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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

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Chemical structure C<sub>10</sub>H<sub>10</sub>F<sub>3</sub>N<sub>3</sub>O

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Extracted from

Scheme 5

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₀H₁₀F₃N₃O
Molecular Weight	245.20 g/mol
Exact Mass	245.0776 Da
InChI	InChI=1S/C10H10F3N3O/c11-10(12,13)9(17)15-5-6-16(14)8-4-2-1-3-7(8)15/h1-4H,5-6,14H2
InChIKey	JNUTUTYRVADWRW-UHFFFAOYSA-N
SMILES	C1=CC2=C(C=C1)N(CCN2C(=O)C(F)(F)F)N
Number of Atoms	27
Number of H-Bond Acceptors	4
Number of H-Bond Donors	1
Atoms in the Largest π-System	11
XLogP	-0.3

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