HCID15124603

3-Chloro-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4,5-dimethylpyridazine

3-chloro-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4,5-dimethylpyridazine

C18H23ClN4330.9 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cccc(N2CCN(c3nnc(Cl)c(C)c3C)CC2)c1C
InChIKey: PHNQFASUADVVBK-UHFFFAOYSA-N
分子式: C18H23ClN4
平均分子量: 330.9 g/mol
单同位素质量: 330.1611244

COMPUTED

结构计算性质

已同步

XLogP: 4.3
极性表面积: 32.3 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 2
重原子: 23
形式电荷: 0
复杂度: 385

ALIASES

名称与别名

共 4 条

SCHEMBL9310850PHNQFASUADVVBK-UHFFFAOYSA-N3-chloro-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4,5-dimethylpyridazine3-chloro-6-[4-(2.3-dimethylphenyl)-1-piperazinyl]-4,5-dimethylpyridazine

REACTIONS

参与反应

4 条

uspto-grants-1991_03 · 10.6084/m9.figshare.5104873.v1 · US05001125

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uspto-grants-1992_10 · 10.6084/m9.figshare.5104873.v1 · US05157035

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uspto-grants-1994_03 · 10.6084/m9.figshare.5104873.v1 · US05292738

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

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