HCID25059733

Tert-butyl 2-(2-fluoro-4-(3-oxo-3-(5-(4-(trifluoromethyl)phenyl)thien-2-yl)propyl)phenoxy)butanoate

tert-butyl 2-[2-fluoro-4-[3-oxo-3-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]propyl]phenoxy]butanoate

C28H28F4O4S536.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCC(Oc1ccc(CCC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)cc1F)C(=O)OC(C)(C)C
InChIKey: HCVSAQDYZVPDNL-UHFFFAOYSA-N
分子式: C28H28F4O4S
平均分子量: 536.6 g/mol
单同位素质量: 536.16444319

COMPUTED

结构计算性质

已同步

XLogP: 8
极性表面积: 80.8 Å²
氢键供体: 0
氢键受体: 9
可旋转键: 11
重原子: 37
形式电荷: 0
复杂度: 760

ALIASES

名称与别名

共 3 条

tert-butyl 2-(2-fluoro-4-(3-oxo-3-(5-(4-(trifluoromethyl)phenyl)thien-2-yl)propyl)phenoxy)butanoateSCHEMBL216982Tert-butyl 2-(2-fluoro-4-(3-oxo-3-(5-(4-(trifluoromethyl)phenyl)thien-2-yl)propyl)phenoxy)-butanoate

REACTIONS

参与反应

4 条

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

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

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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08088819B2

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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08088819B2

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