Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看![4-[2-(4-Aminopiperidin-1-yl)ethyl]-6-methoxy-2H-1,4-benzothiazin-3(4H)-one 分子结构式](/api/mol/66774533/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc2c(c1)N(CCN1CCC(N)CC1)C(=O)CS2
- InChIKey
- BFRCBIFIMGMBID-UHFFFAOYSA-N
- 分子式
- C16H23N3O2S
- 平均分子量
- 321.4 g/mol
- 单同位素质量
- 321.15109816
COMPUTED
结构计算性质
- XLogP
- 1.2
- 极性表面积
- 84.1 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 4
- 重原子
- 22
- 形式电荷
- 0
- 复杂度
- 388
ALIASES
名称与别名
SCHEMBL707120BFRCBIFIMGMBID-UHFFFAOYSA-N4-[2-(4-Aminopiperidin-1-yl)ethyl]-6-methoxy-2H-1,4-benzothiazin-3(4H)-one
REACTIONS
参与反应
uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07875715B2
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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07875715B2
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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07875715B2
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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
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uspto-grants-2012_02 · 10.6084/m9.figshare.5104873.v1 · US08124602B2
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