结构:CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2)C(COc2cccnc2)C1.O=C(O)C(F)(F)F
HCID131728878

tert-butyl 4-(phenylsulfonyl)-3-((pyridin-3-yloxy)methyl)piperazine-1-carboxylate TFA salt

tert-butyl 4-(benzenesulfonyl)-3-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;2,2,2-trifluoroacetic acid

C23H28F3N3O7S547.5 g/mol

IDENTITY

结构与身份

标准 SMILES
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2)C(COc2cccnc2)C1.O=C(O)C(F)(F)F
InChIKey
KAQLSVSXWCKXFU-UHFFFAOYSA-N
分子式
C23H28F3N3O7S
平均分子量
547.5 g/mol
单同位素质量
547.1600059

COMPUTED

结构计算性质

已同步
极性表面积
135 Ų
氢键供体
1
氢键受体
12
可旋转键
7
重原子
37
形式电荷
0
复杂度
751

ALIASES

名称与别名

2
KAQLSVSXWCKXFU-UHFFFAOYSA-Ntert-butyl 4-(phenylsulfonyl)-3-((pyridin-3-yloxy)methyl)piperazine-1-carboxylate TFA salt

REACTIONS

参与反应

3