Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![3-Bromo-5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-thiadiazole 分子结构式](/api/mol/58494086/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CC(C)Oc1ccc(-c2nc(Br)ns2)cc1Cl
- InChIKey
- DRBJNVIVMWVRJD-UHFFFAOYSA-N
- 分子式
- C11H10BrClN2OS
- 平均分子量
- 333.63 g/mol
- 单同位素质量
- 331.93857
COMPUTED
结构计算性质
- XLogP
- 4.8
- 极性表面积
- 63.3 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 260
物化、安全与法规信息正在同步。
ALIASES
名称与别名
1260023-56-03-bromo-5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-thiadiazoleSCHEMBL1293435DRBJNVIVMWVRJD-UHFFFAOYSA-NDA-23994
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 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 (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 (1/10) · 10.1039/C8SC04228D
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