Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看![N-tert-Butyl-3-{6-[4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-2-yl]-pyridin-2-yl}-benzenesulfonamide 分子结构式](/api/mol/57469050/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc(-c3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3)n2)c1
- InChIKey
- OAEMCOBCFXHIFT-UHFFFAOYSA-N
- 分子式
- C27H22F6N4O2S
- 平均分子量
- 580.5 g/mol
- 单同位素质量
- 580.1367661
COMPUTED
结构计算性质
- XLogP
- 5.9
- 极性表面积
- 93.2 Ų
- 氢键供体
- 1
- 氢键受体
- 12
- 可旋转键
- 6
- 重原子
- 40
- 形式电荷
- 0
- 复杂度
- 941
ALIASES
名称与别名
N-tert-Butyl-3-{6-[4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-2-yl]-pyridin-2-yl}-benzenesulfonamideSCHEMBL3558576
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08183262B2
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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08183262B2
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uspto-grants-2010_01 · 10.6084/m9.figshare.5104873.v1 · US07642264B2
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uspto-grants-2010_01 · 10.6084/m9.figshare.5104873.v1 · US07642264B2
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