HCID68469697

7-(2-Oxazolyl)-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxylic acid

2-heptan-4-yl-7-(1,3-oxazol-2-yl)-1-oxo-3,4-dihydroisoquinoline-5-carboxylic acid

C20H24N2O4356.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCC(CCC)N1CCc2c(C(=O)O)cc(-c3ncco3)cc2C1=O
InChIKey: GCQOBTLMJHSUNI-UHFFFAOYSA-N
分子式: C20H24N2O4
平均分子量: 356.4 g/mol
单同位素质量: 356.17360725

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 83.6 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 7
重原子: 26
形式电荷: 0
复杂度: 506

ALIASES

名称与别名

共 4 条

7-(2-oxazolyl)-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxylic acid7-(2-oxazolyl]-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxylic acidSCHEMBL2993841GCQOBTLMJHSUNI-UHFFFAOYSA-N

REACTIONS

参与反应

4 条

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

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uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08372864B2

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uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08372864B2

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

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