HCID20210853

4-(2-Chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-[2-(2-pyrimidinyloxy)ethoxymethyl]-1,4-dihydropyridine

5-O-ethyl 3-O-methyl 4-(2-chlorophenyl)-2-methyl-6-(2-pyrimidin-2-yloxyethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylate

C24H26ClN3O6487.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C1=C(COCCOc2ncccn2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl
InChIKey: KXPCYEKJTYNNBV-UHFFFAOYSA-N
分子式: C24H26ClN3O6
平均分子量: 487.9 g/mol
单同位素质量: 487.1510133

COMPUTED

结构计算性质

已同步

XLogP: 4.2
极性表面积: 109 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 12
重原子: 34
形式电荷: 0
复杂度: 781

ALIASES

名称与别名

共 3 条

SCHEMBL10376166KXPCYEKJTYNNBV-UHFFFAOYSA-N4-(2-Chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-[2-(2-pyrimidinyloxy)ethoxymethyl]-1,4-dihydropyridine

REACTIONS

参与反应

3 条

uspto-grants-1987_03 · 10.6084/m9.figshare.5104873.v1 · US04654353

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

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uspto-grants-1986_10 · 10.6084/m9.figshare.5104873.v1 · US04618609

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