HCID67375014

(R)-2-{2-[6-butyl-5-(4-cyclohexyloxy-phenyl)-pyridazin-3-yloxy]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester

tert-butyl (2R)-2-[2-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxyethyl]piperidine-1-carboxylate

C32H47N3O4537.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCc1nnc(OCC[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1-c1ccc(OC2CCCCC2)cc1
InChIKey: MOBRIYYTYXQFDS-RUZDIDTESA-N
分子式: C32H47N3O4
平均分子量: 537.7 g/mol
单同位素质量: 537.35665699

COMPUTED

结构计算性质

已同步

XLogP: 7.4
极性表面积: 73.8 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 12
重原子: 39
形式电荷: 0
复杂度: 715

ALIASES

名称与别名

共 3 条

SCHEMBL2352958MOBRIYYTYXQFDS-RUZDIDTESA-N(R)-2-{2-[6-butyl-5-(4-cyclohexyloxy-phenyl)-pyridazin-3-yloxy]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester

REACTIONS

参与反应

3 条

uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08741900B2

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uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08431575B2

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uspto-grants-2015_06 · 10.6084/m9.figshare.5104873.v1 · US09045461B2

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