HCID68911921

N-[4-({4-[(dimethylphosphoryl)methyl]piperazin-1-yl}methyl)-3-(trifluoromethyl)phenyl]-3-iodo-4-methylbenzamide

N-[4-[[4-(dimethylphosphorylmethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-iodo-4-methylbenzamide

C23H28F3IN3O2P593.4 g/mol

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IDENTITY

结构与身份

标准 SMILES: Cc1ccc(C(=O)Nc2ccc(CN3CCN(CP(C)(C)=O)CC3)c(C(F)(F)F)c2)cc1I
InChIKey: OMRUGRBQPHTAEW-UHFFFAOYSA-N
分子式: C23H28F3IN3O2P
平均分子量: 593.4 g/mol
单同位素质量: 593.0916

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 52.7 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 6
重原子: 33
形式电荷: 0
复杂度: 712

ALIASES

名称与别名

共 3 条

N-[4-({4-[(dimethylphosphoryl)methyl]piperazin-1-yl}methyl)-3-(trifluoromethyl)phenyl]-3-iodo-4-methylbenzamideSCHEMBL4100085N-[4-({4-[(dimethylphosphoryl)methyl]piperazin-1-yl}methyl)-5-(trifluoromethyl)phenyl]-3-Iodo-4-methylbenzamide

REACTIONS

参与反应

4 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID282931

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为生成物

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID1255950

uspto-grants-2013_06

作为生成物

uspto-grants-2013_06 · 10.6084/m9.figshare.5104873.v1 · US08461167B2

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HRID1527884

uspto-grants-2015_07

作为生成物

uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09090561B2

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HRID1527885

uspto-grants-2015_07

作为反应物

uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09090561B2

查看条件与参与物