HCID86609986

Tert-butyl 4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}-3-(2-{2-[2-(toluene-4-sulphonyloxy)ethyl]phenoxy}-ethoxy)piperidine-1-carboxylate

tert-butyl 4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-[2-[2-[2-(4-methylphenyl)sulfonyloxyethyl]phenoxy]ethoxy]piperidine-1-carboxylate

C44H55NO10S790 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCCOc2ccccc2CCOS(=O)(=O)c2ccc(C)cc2)cc1
InChIKey: JEXDAKOREFGTKC-UHFFFAOYSA-N
分子式: C44H55NO10S
平均分子量: 790 g/mol
单同位素质量: 789.35466812

COMPUTED

结构计算性质

已同步

XLogP: 7.8
极性表面积: 127 Å²
氢键供体: 0
氢键受体: 10
可旋转键: 21
重原子: 56
形式电荷: 0
复杂度: 1,220

ALIASES

名称与别名

共 5 条

SCHEMBL3065672JEXDAKOREFGTKC-UHFFFAOYSA-Ntert-butyl 4-{4-[3-(2-methoxybenyloxy)propoxy]phenyl}-3-(2-{2-[2-(toluene-4-sulphonyloxy)ethyl]phenoxy}ethoxy)piperidine-1-carboxylatetert-butyl 4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}-3-(2-{2-[2-(toluene-4-sulphonyloxy)ethyl]phenoxy}-ethoxy)piperidine-1-carboxylatetert-butyl 4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}-3-(2-{2-[2-(toluene-4-sulphonyloxy)ethyl]phenoxy}ethoxy)piperidine-1-carboxylate

REACTIONS