HCID11245008

Diethyl 2-methyl-4-(2-thienyl)-6-formyl-1,4-dihydropyridine-3,5-dicarboxylate

diethyl 2-formyl-6-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate

C17H19NO5S349.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C1=C(C)NC(C=O)=C(C(=O)OCC)C1c1cccs1
InChIKey: YKARWWMDQXRXKB-UHFFFAOYSA-N
分子式: C17H19NO5S
平均分子量: 349.4 g/mol
单同位素质量: 349.09839388

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 110 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 8
重原子: 24
形式电荷: 0
复杂度: 596

ALIASES

名称与别名

共 4 条

SCHEMBL7379493YKARWWMDQXRXKB-UHFFFAOYSA-Ndiethyl 2-formyl-6-methyl-4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylatediethyl 2-methyl-4-(2-thienyl)-6-formyl-1,4-dihydropyridine-3,5-dicarboxylate

REACTIONS

参与反应

12 条

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

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uspto-grants-1979_03 · 10.6084/m9.figshare.5104873.v1 · US04145432

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uspto-grants-1979_03 · 10.6084/m9.figshare.5104873.v1 · US04145432

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uspto-grants-1981_08 · 10.6084/m9.figshare.5104873.v1 · US04284634

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uspto-grants-1981_08 · 10.6084/m9.figshare.5104873.v1 · US04284634

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

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uspto-grants-1983_01 · 10.6084/m9.figshare.5104873.v1 · US04370334

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uspto-grants-1983_01 · 10.6084/m9.figshare.5104873.v1 · US04370334

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