Suzetrigine

Suzetrigine

CAS

2649467-58-1

PubChem CID

156445116

SMILES

C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)NC2=CC(=NC=C2)C(=O)N)C3=C(C(=C(C=C3)F)F)OC

分子式

C21H20F5N3O4

分子量

473.398

精确分子量

473.1374

InChI

InChI=1S/C21H20F5N3O4/c1-9-14(11-4-5-12(22)15(23)16(11)32-3)17(33-20(9,2)21(24,25)26)19(31)29-10-6-7-28-13(8-10)18(27)30/h4-9,14,17H,1-3H3,(H2,27,30)(H,28,29,31)/t9-,14-,17+,20+/m0/s1

InChIKey

XSQUJFKRXZMOKA-PAFIKIDNSA-N

LogP

3.5455

TPSA

103.54