HCID14723906

3,3-Bis(4-fluorophenyl)-2-[2-(1,1-dimethylethyl)-2H-tetrazol-5-yl]-2-propenol

2-(2-tert-butyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol

C20H20F2N4O370.4 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(C)(C)n1nnc(C(CO)=C(c2ccc(F)cc2)c2ccc(F)cc2)n1
InChIKey: YKZSYIMKZNLHAO-UHFFFAOYSA-N
分子式: C20H20F2N4O
平均分子量: 370.4 g/mol
单同位素质量: 370.1605176

COMPUTED

结构计算性质

已同步

XLogP: 4.8
极性表面积: 63.8 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 5
重原子: 27
形式电荷: 0
复杂度: 497

ALIASES

名称与别名

共 4 条

SCHEMBL9726744YKZSYIMKZNLHAO-UHFFFAOYSA-N3,3-Bis(4-fluorophenyl)-2-[2(1,1-dimethylethyl)-2H-tetrazol-5-yl]-2-propenol3,3-Bis(4-fluorophenyl)-2-[2-(1,1-dimethylethyl)-2H-tetrazol-5-yl]-2-propenol

REACTIONS

参与反应

4 条

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

查看

uspto-grants-1990_01 · 10.6084/m9.figshare.5104873.v1 · US04897490

查看

uspto-grants-1991_11 · 10.6084/m9.figshare.5104873.v1 · US05068346

查看

uspto-grants-1992_05 · 10.6084/m9.figshare.5104873.v1 · US05110940

查看