HCID22222576

ethyl 4-(1-hydroxy-(5-isopropoxy-4-methoxy-2-nitrophenyl)methyl)-1-(4-methoxybenzyl)-1H-1,2,3-triazole-5-carboxylate

ethyl 5-[hydroxy-(4-methoxy-2-nitro-5-propan-2-yloxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylate

C24H28N4O8500.5 g/mol

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IDENTITY

结构与身份

标准 SMILES: CCOC(=O)c1c(C(O)c2cc(OC(C)C)c(OC)cc2[N+](=O)[O-])nnn1Cc1ccc(OC)cc1
InChIKey: RMBDREQEHMXGCF-UHFFFAOYSA-N
分子式: C24H28N4O8
平均分子量: 500.5 g/mol
单同位素质量: 500.19071386

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 151 Å²
氢键供体: 1
氢键受体: 10
可旋转键: 11
重原子: 36
形式电荷: 0
复杂度: 715

ALIASES

名称与别名

共 3 条

SCHEMBL5509234RMBDREQEHMXGCF-UHFFFAOYSA-Nethyl 4-(1-hydroxy-(5-isopropoxy-4-methoxy-2-nitrophenyl)methyl)-1-(4-methoxybenzyl)-1H-1,2,3-triazole-5-carboxylate

REACTIONS