Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![5-(5-{[(2-ethylbutyl)amino]methyl}-2-thienyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide 分子结构式](/api/mol/57732621/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CCC(CC)CNCc1ccc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)s1
- InChIKey
- MZSAKRWYICVHCY-UHFFFAOYSA-N
- 分子式
- C27H38N4O3S2
- 平均分子量
- 530.7 g/mol
- 单同位素质量
- 530.23853343
COMPUTED
结构计算性质
- XLogP
- 3.9
- 极性表面积
- 145 Ų
- 氢键供体
- 3
- 氢键受体
- 6
- 可旋转键
- 11
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 823
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL551654MZSAKRWYICVHCY-UHFFFAOYSA-N5-(5-{[(2-ethylbutyl)amino]methyl}-2-thienyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
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 (6/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08063071B2
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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08063071B2
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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08063071B2
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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08063071B2
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