HCID136348404

5-(7-Ethyl-7H-imidazo[4,5-c]pyridazin-4-yl)-4'-(ethylsulfonyl)-2'-methoxy-[1,1'-biphenyl]-2-ol

4-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-(4-ethylsulfonyl-2-methoxyphenyl)phenol

C22H22N4O4S438.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCn1cnc2c(-c3ccc(O)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21
InChIKey: UOVHUSUBZVIFIM-UHFFFAOYSA-N
分子式: C22H22N4O4S
平均分子量: 438.5 g/mol
单同位素质量: 438.13617637

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 116 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 6
重原子: 31
形式电荷: 0
复杂度: 702

ALIASES

名称与别名

共 6 条

CHEMBL3647558SCHEMBL15794307UOVHUSUBZVIFIM-UHFFFAOYSA-NBDBM144249US8952008, 485-(7-Ethyl-7H-imidazo[4,5-c]pyridazin-4-yl)-4'-(ethylsulfonyl)-2'-methoxy-[1,1'-biphenyl]-2-ol

REACTIONS

参与反应

1 条

uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08952008B2

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