HCID54523241

3-Ethyl-3-n-butyl-12-phenyl-1-aza-1,5,9-cyclododecatriene

11-butyl-11-ethyl-2-phenyl-1-azacyclododeca-4,8,12-triene

C23H33N323.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCC1(CC)C=NC(c2ccccc2)CC=CCCC=CC1
InChIKey: YRIHRVVAOVPALI-UHFFFAOYSA-N
分子式: C23H33N
平均分子量: 323.5 g/mol
单同位素质量: 323.26130006

COMPUTED

结构计算性质

已同步

XLogP: 6.5
极性表面积: 12.4 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 5
重原子: 24
形式电荷: 0
复杂度: 414

ALIASES

名称与别名

共 4 条

SCHEMBL11075228YRIHRVVAOVPALI-UHFFFAOYSA-N3-ethyl-3-n-butyl-12-phenyl-1-aza-1,5,9-cyclododecatriene3-n-butyl-3-ethyl-12-phenyl-1-aza-1,5,9-cyclododecatriene

REACTIONS

相关反应

5 条

uspto-grants-1981_03 · 10.6084/m9.figshare.5104873.v1 · US04258176

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uspto-grants-1982_10 · 10.6084/m9.figshare.5104873.v1 · US04355177

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uspto-grants-1982_10 · 10.6084/m9.figshare.5104873.v1 · US04355177

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-1981_07 · 10.6084/m9.figshare.5104873.v1 · US04277621

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