HRID929248
uspto-grants-2016_03
作为生成物
uspto-grants-2016_03 · 10.6084/m9.figshare.5104873.v1 · US09290517B2
查看条件与参与物HCID90067460
5-([1,1'-biphenyl]-4-yl)-2-(((3R,3aR,6R,6aR)-6-hydroxyhexahydrofuro[3,2-b]furan-3-yl)oxy)-1H-imidazo[4,5-b]pyridine-6-carbonitrile
2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-(4-phenylphenyl)-1H-imidazo[4,5-b]pyridine-6-carbonitrile
C25H20N4O4440.4 g/mol
IDENTITY
结构与身份
- 标准 SMILES
- N#Cc1cc2[nH]c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)nc2nc1-c1ccc(-c2ccccc2)cc1
- InChIKey
- ABRDSACUSMOUCZ-OHUMZHCVSA-N
- 分子式
- C25H20N4O4
- 平均分子量
- 440.4 g/mol
- 单同位素质量
- 440.14845513
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 113 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 4
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 731
ALIASES
名称与别名
SCHEMBL15602383ABRDSACUSMOUCZ-OHUMZHCVSA-N5-([1,1'-biphenyl]-4-yl)-2-(((3R,3aR,6R,6aR)-6-hydroxyhexahydrofuro[3,2-b]furan-3-yl)oxy)-1H-imidazo[4,5-b]pyridine-6-carbonitrile
REACTIONS