HCID15284528

2-carbethoxy-3-[1-{(2-chlorophenyl)methyl}-2-propylthio-1H-imidazol-5-yl]propanoic acid

2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]methyl]-3-ethoxy-3-oxopropanoic acid

C19H23ClN2O4S410.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCSc1ncc(CC(C(=O)O)C(=O)OCC)n1Cc1ccccc1Cl
InChIKey: AODJIIPKHDLYRK-UHFFFAOYSA-N
分子式: C19H23ClN2O4S
平均分子量: 410.9 g/mol
单同位素质量: 410.1067061

COMPUTED

结构计算性质

已同步

XLogP: 4.3
极性表面积: 107 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 11
重原子: 27
形式电荷: 0
复杂度: 496

ALIASES

名称与别名

共 4 条

SCHEMBL8954186AODJIIPKHDLYRK-UHFFFAOYSA-N2-carbethoxy-3-[1-{(2-chlorophenyl)methyl}-2- propylthio-1H-imidazol-5-yl]propanoic acid2-carbethoxy-3-[1-{(2-chlorophenyl)methyl}-2-propylthio-1H-imidazol-5-yl]propanoic acid

REACTIONS

参与反应

4 条

uspto-grants-1996_06 · 10.6084/m9.figshare.5104873.v1 · US05530017

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-1995_08 · 10.6084/m9.figshare.5104873.v1 · US05444080

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