HCID18546798

N-(4-phenylbenzoyl)-N'-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperazine

(4-phenylphenyl)-[4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazin-1-yl]methanone

C32H33N3O4523.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc(-c2cc(CN3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)ccn2)cc(OC)c1OC
InChIKey: FKQLUJHOIMYROV-UHFFFAOYSA-N
分子式: C32H33N3O4
平均分子量: 523.6 g/mol
单同位素质量: 523.24710654

COMPUTED

结构计算性质

已同步

XLogP: 4.8
极性表面积: 64.1 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 8
重原子: 39
形式电荷: 0
复杂度: 732

ALIASES

名称与别名

共 4 条

SCHEMBL4769091FKQLUJHOIMYROV-UHFFFAOYSA-NN-(4-phenylbenzoyl)-N'-[[2-(3,4,5-trimethoxyphenyl)pyridin -4-yl]methyl]piperazineN-(4-phenylbenzoyl)-N'-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperazine

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2003_04 · 10.6084/m9.figshare.5104873.v1 · US06552188B2

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