Toluene-4-sulfonic acid 2-(2-biphenyl-4-yl-methyl-oxazol-4-yl)ethyl ester

HCID 12966835

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

関連反応

40 件

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