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结构：CCOc1cc(OC)ccc1C1=NC(CC2CCCC2)C(c2ccc(Cl)cc2)N1
HCID178467016

5-(4-chloro-phenyl)-4-cyclopentylmethyl-2-(2-ethoxy-4-methoxy-phenyl)-4,5-dihydro-1H-imidazole

4-(4-chlorophenyl)-5-(cyclopentylmethyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole

C24H29ClN2O2412.9 g/mol
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IDENTITY

结构与身份

标准 SMILES
CCOc1cc(OC)ccc1C1=NC(CC2CCCC2)C(c2ccc(Cl)cc2)N1
InChIKey
ASYHDEKSKHAPHX-UHFFFAOYSA-N
分子式
C24H29ClN2O2
平均分子量
412.9 g/mol
单同位素质量
412.1917559

COMPUTED

结构计算性质

已同步
XLogP
6.1
极性表面积
42.9 Ų
氢键供体
1
氢键受体
3
可旋转键
7
重原子
29
形式电荷
0
复杂度
543

ALIASES

名称与别名

共 3 条
SCHEMBL1459866ASYHDEKSKHAPHX-UHFFFAOYSA-N5-(4-chloro-phenyl)-4-cyclopentylmethyl-2-(2-ethoxy-4-methoxy-phenyl)-4,5-dihydro-1H-imidazole

REACTIONS

参与反应

26 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂
HRID89716

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 89716 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID135732

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 135732 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID281299

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

作为生成物
HRID 281299 方程式

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

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HRID317789

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

作为反应物
HRID 317789 方程式

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

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HRID680821

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

作为反应物
HRID 680821 方程式

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

查看条件与参与物