HCID72334544

[5-[(2-Ethenyl-1-ethoxycarbonylcyclopropyl)carbamoyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

C22H26FN3O5431.5 g/mol

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IDENTITY

结构与身份

标准SMILES: C=CC1CC1(NC(=O)C1CC(OC(=O)N2Cc3cccc(F)c3C2)CN1)C(=O)OCC
InChIKey: BXJAJPFAQABKSB-UHFFFAOYSA-N
分子式: C22H26FN3O5
平均分子量: 431.5 g/mol
单同位素质量: 431.1856491

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 97 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 8
重原子: 31
形式电荷: 0
复杂度: 749

REACTIONS

参与反应

4 条

HRID 105585 反应方程式

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

HRID 124370 反应方程式

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

HRID 184146 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

HRID 204423 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D