HCID14872618

3-Cyclohexylmethyl-1-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione

3-(cyclohexylmethyl)-1-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione

C19H22N2O4342.4 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C1C2CC(c3ccc([N+](=O)[O-])cc3)(C2)C(=O)N1CC1CCCCC1
InChIKey: RMYPLWABDFAOHL-UHFFFAOYSA-N
分子式: C19H22N2O4
平均分子量: 342.4 g/mol
单同位素质量: 342.15795719

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 83.2 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 3
重原子: 25
形式电荷: 0
复杂度: 564

ALIASES

名称与别名

共 4 条

SCHEMBL10350381RMYPLWABDFAOHL-UHFFFAOYSA-N3-cyclohexylmethyl-1-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione3-cyclohexylmethyl-1-(4-nitrophenyl)-3-azabicyclo-[3.1.1]heptane-2,4-dione

REACTIONS

参与反应

4 条

uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04764640

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uspto-grants-1987_06 · 10.6084/m9.figshare.5104873.v1 · US04677129

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uspto-grants-1989_08 · 10.6084/m9.figshare.5104873.v1 · US04857660

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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