HCID67441542

2-(3-Bromo-5-methyl-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

ethyl 2-(3-bromo-5-methylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate

C21H24BrNO2402.3 g/mol

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IDENTITY

结构与身份

标准 SMILES: CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(C)cc(Br)c1)N2
InChIKey: FJCGITHAYWNJQP-UHFFFAOYSA-N
分子式: C21H24BrNO2
平均分子量: 402.3 g/mol
单同位素质量: 401.09904

COMPUTED

结构计算性质

已同步

XLogP: 5.9
极性表面积: 38.3 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 4
重原子: 25
形式电荷: 0
复杂度: 481

ALIASES

名称与别名

共 3 条

SCHEMBL2532365FJCGITHAYWNJQP-UHFFFAOYSA-N2-(3-bromo-5-methyl-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

REACTIONS

参与反应

6 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

HRID88072

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID1801023

uspto-grants-2013_01

作为生成物

uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08344137B2

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HRID1801024

uspto-grants-2013_01

作为反应物

uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08344137B2

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HRID2045302

uspto-grants-2013_11

作为生成物

uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08586747B2

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HRID2045303

uspto-grants-2013_11

作为反应物

uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08586747B2

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HRID2143931

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

作为生成物

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

查看条件与参与物