uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822470B2
查看![3-(hydroxymethyl)-6a,7,9,10-tetrahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-6(5H)-one 分子结构式](/api/mol/58324401/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- O=C1Nc2cc(CO)cnc2N2CCSCC12
- InChIKey
- OGEJCAQITDJFCB-UHFFFAOYSA-N
- 分子式
- C11H13N3O2S
- 平均分子量
- 251.31 g/mol
- 单同位素质量
- 251.07284784
COMPUTED
结构计算性质
- XLogP
- -0.1
- 极性表面积
- 90.8 Ų
- 氢键供体
- 2
- 氢键受体
- 5
- 可旋转键
- 1
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 315
ALIASES
名称与别名
SCHEMBL708303OGEJCAQITDJFCB-UHFFFAOYSA-N3-(hydroxymethyl)-6a,7,9,10-tetrahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-6(5H)-one
REACTIONS
相关反应
uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822470B2
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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822470B2
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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822470B2
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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 (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 (3/10) · 10.1039/C8SC04228D
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