HCID54690953

Ethyl 2-[4-[4-hydroxy-5-(2-isopropylphenyl)sulfanyl-6-oxo-pyran-2-yl]phenoxy]acetate

ethyl 2-[4-[4-hydroxy-6-oxo-5-(2-propan-2-ylphenyl)sulfanylpyran-2-yl]phenoxy]acetate

C24H24O6S440.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)COc1ccc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)cc1
InChIKey: GXGWROGCAHSCDT-UHFFFAOYSA-N
分子式: C24H24O6S
平均分子量: 440.5 g/mol
单同位素质量: 440.12935965

COMPUTED

结构计算性质

已同步

XLogP: 5.4
极性表面积: 107 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 9
重原子: 31
形式电荷: 0
复杂度: 705

ALIASES

名称与别名

共 5 条

SCHEMBL6961046GXGWROGCAHSCDT-UHFFFAOYSA-Nethyl 2-[4-[4-hydroxy-5-(2-isopropylphenyl)sulfanyl-6-oxo-pyran-2-yl]phenoxy]acetate4-[4-Hydroxy-5-[(2-isopropylphenyl)thio]-6-oxo-6H-pyran-2-yl]phenoxy acetic acid ethyl esterAcetic acid, [4-[4-hydroxy-3-[[2-(1-methylethyl)phenyl]thio]-2-oxo-2H-pyran-6-yl]phenoxy]-, ethyl ester

REACTIONS