HCID68855865

Tert-butyl 4-[(1-hydroxycyclohexyl)[4-hydroxy-3-(trifluoromethoxy)phenyl]acetyl}piperazine-1-carboxylate

tert-butyl 4-[2-(1-hydroxycyclohexyl)-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetyl]piperazine-1-carboxylate

C24H33F3N2O6502.5 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)OC(=O)N1CCN(C(=O)C(c2ccc(O)c(OC(F)(F)F)c2)C2(O)CCCCC2)CC1
InChIKey: IJODZRGIHVVVOF-UHFFFAOYSA-N
分子式: C24H33F3N2O6
平均分子量: 502.5 g/mol
单同位素质量: 502.22907126

COMPUTED

结构计算性质

等待补全

XLogP: 4.3
极性表面积: 99.5 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 6
重原子: 35
形式电荷: 0
复杂度: 743

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

tert-butyl 4-[(1-hydroxycyclohexyl)[4-hydroxy-3-(trifluoromethoxy)phenyl]acetyl}piperazine-1-carboxylatetert-butyl 4-{(1-hydroxycyclohexyl)[4-hydroxy-3-(trifluoromethoxy)phenyl]acetyl}piperazine-1-carboxylateSCHEMBL3961351

REACTIONS

参与反应

15 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07419980B2

查看

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07419980B2

查看

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看

uspto-grants-2008_07 · 10.6084/m9.figshare.5104873.v1 · US07402698B2

查看

uspto-grants-2008_07 · 10.6084/m9.figshare.5104873.v1 · US07402698B2

查看

uspto-grants-2008_04 · 10.6084/m9.figshare.5104873.v1 · US07365076B2

查看

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

查看

uspto-grants-2009_02 · 10.6084/m9.figshare.5104873.v1 · US07491723B2

查看