8-Fluoro-1-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline-2,4-dione
基本情報
- 標準SMILES
Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O- InChIKey
IOWQECWLWYVSTB-UHFFFAOYSA-N- 分子式
- C22H24BFN2O4
- 平均分子量
- 410.2 g/mol
- 単同位体質量
- 410.1813156
名称と識別子
- 優先名称
- 8-Fluoro-1-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline-2,4-dione
- IUPAC
- 8-fluoro-1-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline-2,4-dione
名称と別名
1643136-29-11643446-65-48-fluoro-1-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline-2,4-dione1643446-66-5(3S)-8-Fluoro-1-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4(1H,3H)-quinazolinedione8-fluoro-1-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione(3R)-8-Fluoro-1-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4(1H,3H)-quinazolinedioneMFCD308024898-fluoro-1-methyl-3-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)quinazoline-2,4(1H,3H)-dione(3R)-8-Fluoro-1-methyl-3-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)quinazoline-2,4(1H,3H)-dione(3R)-8-Fluoro-1-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4(1H,3C22H24BFN2O4
名称をさらに表示
CHEMBL5911852SCHEMBL16319818SCHEMBL29782568IOWQECWLWYVSTB-UHFFFAOYSA-NBS-43434SY322183DB-415547CS-0310207
データベース識別子
- PubChem CID
- 123979682
- ChEMBL
CHEMBL5911852
物性
構造計算による物性
- 極性表面積
- 59.1 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
- 2
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 701
関連反応
4 件
化合物ノート
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