HCID11642652

Methyl [3-({[4-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)butyl][3-(dimethylamino)-2,2-dimethylpropyl]amino}methyl)phenyl]acetate

methyl 2-[3-[[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]phenyl]acetate

C30H47N7O4569.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCOc1nc(N)c2[nH]c(=O)n(CCCCN(Cc3cccc(CC(=O)OC)c3)CC(C)(C)CN(C)C)c2n1
InChIKey: DHGIDFJKVDAZHF-UHFFFAOYSA-N
分子式: C30H47N7O4
平均分子量: 569.7 g/mol
单同位素质量: 569.36895301

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 126 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 18
重原子: 41
形式电荷: 0
复杂度: 814

ALIASES

名称与别名

共 3 条

SCHEMBL12049005DHGIDFJKVDAZHF-UHFFFAOYSA-NMethyl [3-({[4-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)butyl][3-(dimethylamino)-2,2-dimethylpropyl]amino}methyl)phenyl]acetate

REACTIONS