uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541461B2
查看![3-(3,4-Difluoro-phenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)-phenyl]-propionamide 分子结构式](/api/mol/59331955/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CNC(=O)CC(c1ccc(-c2cn[nH]c2)cc1)c1ccc(F)c(F)c1
- InChIKey
- DIWCDMHFVAOTCR-UHFFFAOYSA-N
- 分子式
- C19H17F2N3O
- 平均分子量
- 341.4 g/mol
- 单同位素质量
- 341.1339685
COMPUTED
结构计算性质
- XLogP
- 3
- 极性表面积
- 57.8 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 5
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 442
ALIASES
名称与别名
SCHEMBL1978768DIWCDMHFVAOTCR-UHFFFAOYSA-N3-(3,4-Difluoro-phenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)-phenyl]-propionamide
REACTIONS
参与反应
uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541461B2
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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541461B2
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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541461B2
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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08247576B2
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uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08247576B2
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uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08247576B2
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