Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- COc1ccccc1-c1cccc(-n2cnc(C(=O)N(C)OC)c2)c1
- InChIKey
- VPJPSXQJWZPUND-UHFFFAOYSA-N
- 分子式
- C19H19N3O3
- 平均分子量
- 337.4 g/mol
- 单同位素质量
- 337.14264148
COMPUTED
结构计算性质
- XLogP
- 3.1
- 极性表面积
- 56.6 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 5
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 448
ALIASES
名称与别名
SCHEMBL2495560VPJPSXQJWZPUND-UHFFFAOYSA-N1-(2'-Methoxy-biphenyl-3-yl)-1H-imidazole-4-carboxylic acid methoxy-methyl-amide
REACTIONS
参与反应
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 (9/10) · 10.1039/C8SC04228D
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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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Test data from https://doi.org/10.1039/C8SC04228D · 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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