Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看![2-{1-[6-Trifluoromethyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-1H-imidazol-4-yl}-thiazole-5-sulfonic acid tert-butylamide 分子结构式](/api/mol/24760895/svg/360x280.svg)
HCID24760895
2-{1-[6-Trifluoromethyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-1H-imidazol-4-yl}-thiazole-5-sulfonic acid tert-butylamide
N-tert-butyl-2-[1-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole-5-sulfonamide
C23H19F6N5O2S2575.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)NS(=O)(=O)c1cnc(-c2cn(-c3cc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3)cn2)s1
- InChIKey
- TZJNNCFKFIXOLT-UHFFFAOYSA-N
- 分子式
- C23H19F6N5O2S2
- 平均分子量
- 575.6 g/mol
- 单同位素质量
- 575.08843619
COMPUTED
结构计算性质
- XLogP
- 5.4
- 极性表面积
- 126 Ų
- 氢键供体
- 1
- 氢键受体
- 13
- 可旋转键
- 6
- 重原子
- 38
- 形式电荷
- 0
- 复杂度
- 915
物化、安全与法规信息正在同步。
ALIASES
名称与别名
2-{1-[6-Trifluoromethyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-1H-imidazol-4-yl}-thiazole-5-sulfonic acid tert-butylamideSCHEMBL3561597
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看
uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08183262B2
查看
uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08183262B2
查看
uspto-grants-2010_01 · 10.6084/m9.figshare.5104873.v1 · US07642264B2
查看
uspto-grants-2010_01 · 10.6084/m9.figshare.5104873.v1 · US07642264B2
查看
Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D
查看