HIT ID: HIT218851460
Cas No: 2778366-77-9
分子式: C23H25ClF3N3O6
分子量: 531.91
常用名: DGKζ-IN-4
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: tert-butyl (2S)-4-[3-(2-chlorophenoxy)-6-nitro-2-(trifluoromethyl)phenyl]-2-(hydroxymethyl)piperazine-1-carboxylate
IUPAC: tert-butyl (2S)-4-[3-(2-chlorophenoxy)-6-nitro-2-(trifluoromethyl)phenyl]-2-(hydroxymethyl)piperazine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCN(C[C@H]1CO)c1c(ccc(Oc2ccccc2Cl)c1C(F)(F)F)[N+]([O-])=O
SMILES: CC(C)(C)OC(=O)N1CCN(C[C@H]1CO)c1c(ccc(Oc2ccccc2Cl)c1C(F)(F)F)[N+]([O-])=O
InChI key: FKBDRPYOKPGTKV-AWEZNQCLSA-N