HCID68433807

1-(2-Methoxy-5-methyl-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline-7-carboxylic acid

1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carboxylic acid

C18H19NO5S361.4 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(C(=O)O)cc21
InChIKey: RVSYMKLKWBZCAK-UHFFFAOYSA-N
分子式: C18H19NO5S
平均分子量: 361.4 g/mol
单同位素质量: 361.09839388

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 92.3 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 4
重原子: 25
形式电荷: 0
复杂度: 587

ALIASES

名称与别名

共 3 条

SCHEMBL2901642RVSYMKLKWBZCAK-UHFFFAOYSA-N1-(2-Methoxy-5-methyl-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline-7-carboxylic acid

REACTIONS

参与反应

10 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

HRID298861

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

作为反应物

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

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HRID699992

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

作为反应物

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

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HRID701212

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

作为反应物

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

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HRID1130559

Training data from https://doi.org/10.1039/C8SC04228D (7/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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HRID1233091

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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HRID1715847

uspto-grants-2010_09

作为反应物

uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07799933B2

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HRID1715848

uspto-grants-2010_09

作为反应物

uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07799933B2

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HRID1715849

uspto-grants-2010_09

作为反应物

uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07799933B2

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