HCID57414917

Methyl [(3S)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate

methyl 2-[(3S)-6-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

C30H34O7S538.7 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C[C@@H]1COc2cc(OCc3cccc(-c4c(C)cc(OCCCS(C)(=O)=O)cc4C)c3)ccc21
InChIKey: UBOMIQKYZRJYQV-XMMPIXPASA-N
分子式: C30H34O7S
平均分子量: 538.7 g/mol
单同位素质量: 538.20252459

COMPUTED

结构计算性质

等待补全

XLogP: 5.1
极性表面积: 96.5 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 12
重原子: 38
形式电荷: 0
复杂度: 843

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 5 条

SCHEMBL2690226UBOMIQKYZRJYQV-XMMPIXPASA-Nmethyl [(35)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetateMethyl [(3S)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetatemethyl[(3S)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate

REACTIONS