Ethyl[4-[2-(5-cyano-2-hydroxybenzenesulfonylamino)ethyl]-2'-methanesulfonyl-biphenyl-3-yloxy]acetate
基本情報
- 標準SMILES
CCOC(=O)COc1cc(-c2ccccc2S(C)(=O)=O)ccc1CCNS(=O)(=O)c1cc(C#N)ccc1O- InChIKey
LRJKNXYNQDTQIB-UHFFFAOYSA-N- 分子式
- C26H26N2O8S2
- 平均分子量
- 558.6 g/mol
名称と識別子
- 優先名称
- Ethyl[4-[2-(5-cyano-2-hydroxybenzenesulfonylamino)ethyl]-2'-methanesulfonyl-biphenyl-3-yloxy]acetate
- IUPAC
- ethyl 2-[2-[2-[(5-cyano-2-hydroxyphenyl)sulfonylamino]ethyl]-5-(2-methylsulfonylphenyl)phenoxy]acetate
名称と別名
LRJKNXYNQDTQIB-UHFFFAOYSA-Nethyl [4-[2-(5-cyano-2-hydroxybenzenesulfonylamino)ethyl]-2'-methanesulfonyl-biphenyl-3-yloxy]acetateethyl [4-[2-(5-cyano-2-hydroxybenzenesulfonylamino)ethyl]-2'-methanesulfonylbiphenyl-3-yloxy]acetateethyl[4-[2-(5-cyano-2-hydroxybenzenesulfonylamino)ethyl]-2'-methanesulfonyl-biphenyl-3-yloxy]acetateethyl[4-[2-(5-cyano-2-hydroxybenzenesulfonylamino)ethyl]-2'-methanesulfonylbiphenyl-3-yloxy]-acetateethyl[4-[2-(5-cyano-2-hydroxybenzenesulfonylamino)ethyl]-2'-methanesulfonylbiphenyl-3-yloxy]acetate
データベース識別子
- PubChem CID
- 12149205
物性
構造計算による物性
- XLogP
- 3.9
- 極性表面積
- 177 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 10
- 回転可能結合数
- 12
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 1,040
関連反応
11 件
化合物ノート
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