基本情報
- 標準SMILES
Cc1ccc(S(=O)(=O)OCCc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)cc1- InChIKey
XKYUFTRQMNAIME-UHFFFAOYSA-N- 分子式
- C25H23NO4S
- 平均分子量
- 433.5 g/mol
名称と識別子
- 優先名称
- Toluene-4-sulfonic acid 2-(2-biphenyl-4-yl-methyl-oxazol-4-yl)ethyl ester
- IUPAC
- 2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate
名称と別名
SCHEMBL4885359XKYUFTRQMNAIME-UHFFFAOYSA-Ntoluene-4-sulfonic acid 2-(2-biphenyl-4-yl-5-methyloxazol-4-yl)ethyl estertoluene-4-sulfonic acid 2-(2-biphenyl-4-yl-methyl-oxazol-4-yl)ethyl estertoluene-4-sulfonic acid 2-(2-biphenyl-4-yl --methyl-oxazol-4-yl)ethyl estertoluene-4-sulfonic acid 2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-ethyl estertoluene-4-sulfonic acid 2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)ethyl esterToluene-4-sulfonic acid 2-(5-methyl-2-biphenyl-4-yl-oxazol-4-yl)-ethyl estertoluene-4-sulfonic acid 2-(5-methyl-2-biphenyl-4-yl-oxazol-4-yl)ethyl ester
データベース識別子
- PubChem CID
- 12966835
物性
構造計算による物性
- XLogP
- 5.7
- 極性表面積
- 77.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 7
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 641
関連反応
40 件
化合物ノート
読み込み中…