uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732456B2
查看![4-benzyloxy-1-{4-[(2-tetrahydropyranyl)oxy]phenyl}-1H-pyridin-2-one 分子结构式](/api/mol/68430671/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- O=c1cc(OCc2ccccc2)ccn1-c1ccc(OC2CCCCO2)cc1
- InChIKey
- VKMOFCWYIYCPMA-UHFFFAOYSA-N
- 分子式
- C23H23NO4
- 平均分子量
- 377.4 g/mol
- 单同位素质量
- 377.16270821
COMPUTED
结构计算性质
- XLogP
- 4
- 极性表面积
- 48 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 6
- 重原子
- 28
- 形式电荷
- 0
- 复杂度
- 573
ALIASES
名称与别名
SCHEMBL2892007VKMOFCWYIYCPMA-UHFFFAOYSA-N4-benzyloxy-1-{4-[(2-tetrahydropyranyl)oxy]phenyl}-1H-pyridin-2-one
REACTIONS
相关反应
uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732456B2
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uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732456B2
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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 (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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