Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![5-methyl-N-[6-chloro-5-(o-methoxyphenoxy)-2-methyl-4-pyrimidinyl]-2-pyridine sulfonamide 分子结构式](/api/mol/22729397/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- COc1ccccc1Oc1c(Cl)nc(C)nc1NS(=O)(=O)c1ccc(C)cn1
- InChIKey
- BBFCTGAHBNXMLE-UHFFFAOYSA-N
- 分子式
- C18H17ClN4O4S
- 平均分子量
- 420.9 g/mol
- 单同位素质量
- 420.0659039
COMPUTED
结构计算性质
- XLogP
- 3.5
- 极性表面积
- 112 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 6
- 重原子
- 28
- 形式电荷
- 0
- 复杂度
- 605
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL6784030BBFCTGAHBNXMLE-UHFFFAOYSA-N5-methyl-N-[6-chloro-5-(o-methoxyphenoxy)-2-methyl-4-pyrimidinyl]-2-pyridine sulfonamide
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-2003_07 · 10.6084/m9.figshare.5104873.v1 · US06596719B1
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uspto-grants-2003_07 · 10.6084/m9.figshare.5104873.v1 · US06596719B1
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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
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uspto-grants-2004_04 · 10.6084/m9.figshare.5104873.v1 · US06720322B2
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