HCID9830710

4-(4-Phenyl-butyl-carbamoyloxy)-piperidine-1-carboxylic acid 6-[(4-phenoxy-phenyl)-oxycarbonylamino]-hexyl ester

6-[(4-phenoxyphenoxy)carbonylamino]hexyl 4-(4-phenylbutylcarbamoyloxy)piperidine-1-carboxylate

C36H45N3O7631.8 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: O=C(NCCCCCCOC(=O)N1CCC(OC(=O)NCCCCc2ccccc2)CC1)Oc1ccc(Oc2ccccc2)cc1
InChIKey: ARKKHTHUOLNZDL-UHFFFAOYSA-N
分子式: C36H45N3O7
平均分子量: 631.8 g/mol
单同位素质量: 631.32575078

COMPUTED

结构计算性质

等待补全

XLogP: 7.3
极性表面积: 115 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 19
重原子: 46
形式电荷: 0
复杂度: 862

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

SCHEMBL8755404ARKKHTHUOLNZDL-UHFFFAOYSA-N4-(4-Phenyl-butyl-carbamoyloxy)-piperidine-1-carboxylic acid 6-[(4-phenoxy-phenyl)-oxycarbonylamino]-hexyl ester

REACTIONS

参与反应

2 条

uspto-grants-1996_06 · 10.6084/m9.figshare.5104873.v1 · US05527804

查看

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

查看