HCID21979892

cis-N-(tert-butoxycarbonyl)-N'-(4-methyl-5-isoquinolyl)-1,4-cyclohexanediamine

tert-butyl N-[4-[(4-methylisoquinolin-5-yl)amino]cyclohexyl]carbamate

C21H29N3O2355.5 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cncc2cccc(NC3CCC(NC(=O)OC(C)(C)C)CC3)c12
InChIKey: FWAXMWADKUBJGV-UHFFFAOYSA-N
分子式: C21H29N3O2
平均分子量: 355.5 g/mol
单同位素质量: 355.22597718

COMPUTED

结构计算性质

已同步

XLogP: 4.5
极性表面积: 63.3 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 5
重原子: 26
形式电荷: 0
复杂度: 468

ALIASES

名称与别名

共 7 条

SCHEMBL5663572SCHEMBL5663581SCHEMBL5663669FWAXMWADKUBJGV-CALCHBBNSA-NFWAXMWADKUBJGV-QAQDUYKDSA-Ncis-N-(tert-butoxycarbonyl)-N'-(4-methyl-5-isoquinolyl)-1,4-cyclohexanediaminetrans-N-(tert-butoxycarbonyl)-N'-(4-methyl-5-isoquinolyl)-1,4-cyclohexanediamine

REACTIONS

参与反应

2 条

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

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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