Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![N-(2,6-dimethylphenyl)-2-(4-{2-hydroxy-3-[2-(3-trifluoromethylphenyl)-benzoxazol-5-yloxy]-propyl}-piperazin-1-yl)acetamide 分子结构式](/api/mol/10099786/svg/360x280.svg)
HCID10099786
N-(2,6-dimethylphenyl)-2-(4-{2-hydroxy-3-[2-(3-trifluoromethylphenyl)-benzoxazol-5-yloxy]-propyl}-piperazin-1-yl)acetamide
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide
C31H33F3N4O4582.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1cccc(C)c1NC(=O)CN1CCN(CC(O)COc2ccc3oc(-c4cccc(C(F)(F)F)c4)nc3c2)CC1
- InChIKey
- BUSOHISTSQHOLT-UHFFFAOYSA-N
- 分子式
- C31H33F3N4O4
- 平均分子量
- 582.6 g/mol
- 单同位素质量
- 582.24539003
COMPUTED
结构计算性质
- XLogP
- 5.1
- 极性表面积
- 91.1 Ų
- 氢键供体
- 2
- 氢键受体
- 10
- 可旋转键
- 9
- 重原子
- 42
- 形式电荷
- 0
- 复杂度
- 864
物化、安全与法规信息正在同步。
ALIASES
名称与别名
N-(2,6-dimethylphenyl)-2-(4-{2-hydroxy-3-[2-(3-trifluoromethylphenyl)-benzoxazol-5-yloxy]-propyl}-piperazin-1-yl)acetamideCHEMBL172089SCHEMBL5225586
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D
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