HCID76569243

Tert-butyl 4-[1-[(2,5-dichloropyridine-3-carbonyl)amino]ethyl]benzoate

C19H20Cl2N2O3395.3 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CC(NC(=O)c1cc(Cl)cnc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1
InChIKey: MIMRLFVDYCOFBP-UHFFFAOYSA-N
分子式: C19H20Cl2N2O3
平均分子量: 395.3 g/mol
单同位素质量: 394.0850979

COMPUTED

结构计算性质

等待补全

XLogP: 4.5
极性表面积: 68.3 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 6
重原子: 26
形式电荷: 0
复杂度: 502

物化、安全与法规信息正在同步。

REACTIONS

相关反应

16 条

HRID 90433 反应方程式

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

HRID 109835 反应方程式

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

HRID 118373 反应方程式

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

HRID 118974 反应方程式

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

HRID 152594 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

HRID 195334 反应方程式

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

HRID 195740 反应方程式

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

HRID 297313 反应方程式

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