HCID178429052

3-[5-Methyl-3-(2-(N-methyl-N-(4-carboxyphenyl)aminosulfonyl)phenylsulfonyloxy) Phenoxy]propoxyguanidine

4-[[2-[3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenoxy]sulfonylphenyl]sulfonyl-methylamino]benzoic acid

C25H28N4O9S2592.6 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cc(OCCCONC(=N)N)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)c1
InChIKey: GLMZSQWCNYGFEL-UHFFFAOYSA-N
分子式: C25H28N4O9S2
平均分子量: 592.6 g/mol
单同位素质量: 592.12977083

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 218 Å²
氢键供体: 3
氢键受体: 11
可旋转键: 13
重原子: 40
形式电荷: 0
复杂度: 1,060

ALIASES

名称与别名

共 6 条

SCHEMBL6745943SCHEMBL6745948GLMZSQWCNYGFEL-UHFFFAOYSA-N3-[5-Methyl-3-(2-(N-methyl-N-(4-carboxyphenyl)aminosulfonyl)phenylsulfonyloxy) Phenoxy]propoxy guanidine3-[5-Methyl-3-(2-(N-methyl-N-(4-carboxyphenyl)aminosulfonyl)phenylsulfonyloxy) Phenoxy]propoxyguanidine3-[5-Methyl-3-(2-(N-methyl-N-(4-carboxyphenyl)aminosulfonyl)phenylsulfonyloxy)phenoxy]propoxyguanidine

REACTIONS