HCID145705836

tert-butyl N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]carbamate

C19H23F5N2O3422.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)NC1CCC(c2cccc(F)c2F)CN(CC(F)(F)F)C1=O
InChIKey: CUWXCXBLGHGWSF-UHFFFAOYSA-N
分子式: C19H23F5N2O3
平均分子量: 422.4 g/mol
单同位素质量: 422.16288341

COMPUTED

结构计算性质

已同步

XLogP: 4
极性表面积: 58.6 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 5
重原子: 29
形式电荷: 0
复杂度: 593

REACTIONS

参与反应

4 条

HRID 120826 反应方程式

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

HRID 1150471 反应方程式

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

HRID 1238453 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

HRID 2347575 反应方程式

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