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2-[(5-tert-butyl-2-methylphenyl)amino]-6-[4-(1H-imidazol-1-yl)piperidin-1-yl]-N,N-dimethylisonicotinamide 分子结构式
HCID59191959

2-[(5-tert-butyl-2-methylphenyl)amino]-6-[4-(1H-imidazol-1-yl)piperidin-1-yl]-N,N-dimethylisonicotinamide

2-(5-tert-butyl-2-methylanilino)-6-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylpyridine-4-carboxamide

C27H36N6O460.6 g/mol
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IDENTITY

结构与身份

标准SMILES
Cc1ccc(C(C)(C)C)cc1Nc1cc(C(=O)N(C)C)cc(N2CCC(n3ccnc3)CC2)n1
InChIKey
ZLCOZOBGJDQIEN-UHFFFAOYSA-N
分子式
C27H36N6O
平均分子量
460.6 g/mol
单同位素质量
460.29505979

COMPUTED

结构计算性质

已同步
XLogP
4.9
极性表面积
66.3 Ų
氢键供体
1
氢键受体
5
可旋转键
6
重原子
34
形式电荷
0
复杂度
671

ALIASES

名称与别名

共 3 条
SCHEMBL3480671ZLCOZOBGJDQIEN-UHFFFAOYSA-N2-[(5-tert-butyl-2-methylphenyl)amino]-6-[4-(1H-imidazol-1-yl)piperidin-1-yl]-N,N-dimethylisonicotinamide

REACTIONS

参与反应

2 条
HRID 86466 反应方程式

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

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HRID 888998 反应方程式

uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08252803B2

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