uspto-grants-2006_10 · 10.6084/m9.figshare.5104873.v1 · US07125990B2
查看![[6-chloro-2-trifluoromethyl-7-(2,4,6-trimethyl-phenyl)-7H-imidazo[1,2-a]imidazol-3-yl]-methanol 分子结构式](/api/mol/21916271/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- Cc1cc(C)c(-n2c(Cl)cn3c(CO)c(C(F)(F)F)nc23)c(C)c1
- InChIKey
- STKAADVIQJJDFB-UHFFFAOYSA-N
- 分子式
- C16H15ClF3N3O
- 平均分子量
- 357.76 g/mol
- 单同位素质量
- 357.0855743
COMPUTED
结构计算性质
- XLogP
- 4.7
- 极性表面积
- 42.5 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 2
- 重原子
- 24
- 形式电荷
- 0
- 复杂度
- 454
ALIASES
名称与别名
[6-chloro-2-trifluoromethyl-7-(2,4,6-trimethyl-phenyl)-7H-imidazo[1,2-a]imidazol-3-yl]-methanolSCHEMBL5386802
REACTIONS
参与反应
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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D
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