KF-17837
基本情報
- CAS
141807-96-7- 標準SMILES
CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CCC)c1=O- InChIKey
UQGGPCQNHJCOPS-PKNBQFBNSA-N- 分子式
- C22H28N4O4
- 平均分子量
- 412.5 g/mol
- 単同位体質量
- 412.21105539
名称と識別子
- 優先名称
- KF-17837
- IUPAC
- 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
名称と別名
KF-17837RefChem:1088058(E)-8-(3,4-Dimethoxystyryl)-7-methyl-1,3-dipropylxanthine141807-96-7CHEMBL27508kf178378-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-UQGGPCQNHJCOPS-PKNBQFBNSA-NSCHEMBL537085SCHEMBL297585188-[2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
名称をさらに表示
GLXC-01801BDBM50006710L006852(e)-8-(3,4-dimethoxystyryl)-1,3-dipropyl-7-methylxanthine8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione; compound with 8-[2-(3,4-dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
データベース識別子
- CAS
141807-96-7- PubChem CID
- 6448585
- ChEMBL
CHEMBL27508- Nikkaji
- J489.934B、J551.327H
物性
構造計算による物性
- XLogP
- 3.6
- 極性表面積
- 76.9 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
- 8
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 643
関連反応
10 件
化合物ノート
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