HCID44431525

2-(4-Chloro-2-nitro-phenoxy)-1-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-ethanone

2-(4-chloro-2-nitrophenoxy)-1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

C21H23ClFN3O4435.9 g/mol

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IDENTITY

结构与身份

标准SMILES: C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1[N+](=O)[O-]
InChIKey: KQYBWAWAMAJIEQ-LSDHHAIUSA-N
分子式: C21H23ClFN3O4
平均分子量: 435.9 g/mol
单同位素质量: 435.1361121

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 78.6 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 5
重原子: 30
形式电荷: 0
复杂度: 599

ALIASES

名称与别名

共 5 条

SCHEMBL5060728KQYBWAWAMAJIEQ-LSDHHAIUSA-N(2R, 5S)-2-(4-Chloro-2-nitro-phenoxy)-1-[4-(4-fluoro-benzyl)-2,5-dimethyl-piperazin-1-yl]-ethanone2-(4-Chloro-2-nitro-phenoxy)-1-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-ethanone2-(4-Chloro-2-Nitro-Phenoxy)-1-[4-(4-Fluoro-Benzyl)-(2R,5S)-2.5-Dimethyl-Piperazin-1-Yl]-Ethanone

REACTIONS

参与反应

4 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098212B2

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098212B2

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uspto-grants-2003_11 · 10.6084/m9.figshare.5104873.v1 · US06649611B2

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uspto-grants-2003_11 · 10.6084/m9.figshare.5104873.v1 · US06649611B2

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