HIT ID: HIT218832988

Cas No:

分子式: C20H13ClF4N4O4

分子量: 484.79

常用名: 2-carbamoyl-4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]pyridin-1-ium-1-olate, N-desmethyl Regorafenib N-oxide

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 2-carbamoyl-4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]pyridin-1-ium-1-olate

SMILES: NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)cc[n+]1[O-]

InChI key: JPEWXTSDCNCZOD-UHFFFAOYSA-N