uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427632B2
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(NC(COCC1CCNCC1)c1ccccc1Cl)c1ccc2c(Cl)c[nH]c2c1
- InChIKey
- RBSMJZHQLBXSOL-UHFFFAOYSA-N
- 分子式
- C23H25Cl2N3O2
- 平均分子量
- 446.4 g/mol
- 单同位素质量
- 445.1323824
COMPUTED
结构计算性质
- XLogP
- 4.3
- 极性表面积
- 66.2 Ų
- 氢键供体
- 3
- 氢键受体
- 3
- 可旋转键
- 7
- 重原子
- 30
- 形式电荷
- 0
- 复杂度
- 561
ALIASES
名称与别名
SCHEMBL5092525RBSMJZHQLBXSOL-UHFFFAOYSA-N3-chloro-N-[1-(2-chloro-phenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-6-carboxamide3-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-6-carboxamide
REACTIONS
相关反应
uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427632B2
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查看uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427632B2
查看uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427632B2
查看uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427632B2
查看uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427632B2
查看Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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