HCID86611603

Tert-butyl 4-(2-(2-chloro-5-((2,6-dichlorophenyl)carbamoyl)pyrimidin-4-ylhydrazinyl)ethyl)piperidine-1-carboxylate

tert-butyl 4-[2-[2-[2-chloro-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-4-yl]hydrazinyl]ethyl]piperidine-1-carboxylate

C23H29Cl3N6O3543.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CCC(CCNNc2nc(Cl)ncc2C(=O)Nc2c(Cl)cccc2Cl)CC1
InChIKey: IUBSMKFMQWGCFW-UHFFFAOYSA-N
分子式: C23H29Cl3N6O3
平均分子量: 543.9 g/mol
单同位素质量: 542.136672

COMPUTED

结构计算性质

已同步

XLogP: 5.9
极性表面积: 108 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 9
重原子: 35
形式电荷: 0
复杂度: 694

ALIASES

名称与别名

共 3 条

SCHEMBL2957940IUBSMKFMQWGCFW-UHFFFAOYSA-Ntert-butyl 4-(2-(2-chloro-5-((2,6-dichlorophenyl)carbamoyl)pyrimidin-4-ylhydrazinyl)ethyl)piperidine-1-carboxylate

REACTIONS

参与反应

1 条

uspto-grants-2010_07 · 10.6084/m9.figshare.5104873.v1 · US07763624B2

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