基本情報
- 標準SMILES
CCOC(=O)C(C)(C)Oc1ccc(OCCc2nc(-c3ccc(Br)cc3)oc2C)cc1- InChIKey
SMVLDNUJSZVHQF-UHFFFAOYSA-N- 分子式
- C24H26BrNO5
- 平均分子量
- 488.4 g/mol
名称と識別子
- 優先名称
- 2-(4-{2-[2-(4-Bromophenyl)-5-methyloxazol-4-yl]ethoxy}phenoxy)-2-methylpropionic acid ethyl ester
- IUPAC
- ethyl 2-[4-[2-[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate
名称と別名
2-(4-(2-[2-(4-Bromophenyl)-5-methyloxazol-4-yl]ethoxy)phenoxy)-2-methyl propionic acid ethyl ester2-(4-{2-[2-(4-bromo-phenyl)-5-methyl-oxazol-4-yl]-ethoxy)-phenoxy)-2-methyl-propionic acid ethyl ester2-(4-{2-[2-(4-bromo-phenyl)-5-methyl-oxazol-4-yl]-ethoxy}-phenoxy)-2-methyl-propionic acid ethyl ester2-(4-{2-[2-(4-bromophenyl)-5-methyloxazol-4-yl]ethoxy}phenoxy)-2-methyl propionic acid ethyl esterSCHEMBL5099380SMVLDNUJSZVHQF-UHFFFAOYSA-N2-(4-{2-[2-(4-bromo-phenyl)-5-methyloxazol-4-yl]-ethoxy}-phenoxy)-2-methyl-propionic acid ethyl ester2-(4-{2-[2-(4-bromophenyl)-5-methyl-oxazol-4-yl]-ethoxy}-phenoxy)-2-methyl-propionic acid ethyl ester2-(4-{2-[2-(4-bromophenyl)-5-methyloxazol-4-yl]ethoxy}-phenoxy)-2-methylpropionic acid ethyl ester2-(4-{2-[2-(4-bromophenyl)-5-methyloxazol-4-yl]ethoxy}phenoxy)-2-methyl-propionic acid ethyl ester2-(4-{2-[2-(4-bromophenyl)-5-methyloxazol-4-yl]ethoxy}phenoxy)-2-methylpropionic acid ethyl ester
データベース識別子
- PubChem CID
- 11027342
物性
構造計算による物性
- XLogP
- 5.9
- 極性表面積
- 70.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 10
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 558
関連反応
67 件
化合物ノート
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