uspto-grants-1985_08 · 10.6084/m9.figshare.5104873.v1 · US04533665
查看IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)N1CCC(=C(c2ccc(F)cc2)c2cccnc2)CC1
- InChIKey
- IIWVEIBMPSQOCA-UHFFFAOYSA-N
- 分子式
- C20H21FN2O2
- 平均分子量
- 340.4 g/mol
- 单同位素质量
- 340.15870608
COMPUTED
结构计算性质
- XLogP
- 3.7
- 极性表面积
- 42.4 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 4
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 476
ALIASES
名称与别名
SCHEMBL10601711IIWVEIBMPSQOCA-UHFFFAOYSA-Nethyl 4-[(4-fluorophenyl)(3-pyridinyl)methylene]-1-piperidinecarboxylate
REACTIONS
参与反应
uspto-grants-1985_08 · 10.6084/m9.figshare.5104873.v1 · US04533665
查看Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看uspto-grants-1986_04 · 10.6084/m9.figshare.5104873.v1 · US04581171
查看uspto-grants-1986_04 · 10.6084/m9.figshare.5104873.v1 · US04581171
查看uspto-grants-1984_11 · 10.6084/m9.figshare.5104873.v1 · US04485107
查看uspto-grants-1984_11 · 10.6084/m9.figshare.5104873.v1 · US04485107
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