L-826141
HIT212710323
sdf文件结构编辑类似物检索
HIT ID: HIT212710323
Cas No: 491869-01-3
分子式: C25H19F10NO4
分子量: 587.414
常用名: L-826141
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 6.630576
IUPAC: 4-{2-[3,4-bis(difluoromethoxy)phenyl]-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]ethyl}-3-methylpyridin-1-ium-1-olate
IUPAC: 4-{2-[3,4-bis(difluoromethoxy)phenyl]-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]ethyl}-3-methylpyridin-1-ium-1-olate
SMILES: Cc1c[n+]([O-])ccc1CC(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccc(OC(F)F)c(OC(F)F)c1
SMILES: Cc1c[n+]([O-])ccc1CC(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccc(OC(F)F)c(OC(F)F)c1
InChI key: QJLFNDIEDQOREP-UHFFFAOYSA-N
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