5-[(4,6-dimethylpyridin-2-yl)oxy]-6-ethyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-2-propylpyrimidin-4(3H)-one
基本情報
- 標準SMILES
CCCc1nc(CC)c(Oc2cc(C)cc(C)n2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1- InChIKey
MFDBNJSNYDOMOH-UHFFFAOYSA-N- 分子式
- C31H31N5O4
- 平均分子量
- 537.6 g/mol
- 単同位体質量
- 537.23760449
名称と識別子
- 優先名称
- 5-[(4,6-dimethylpyridin-2-yl)oxy]-6-ethyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-2-propylpyrimidin-4(3H)-one
- IUPAC
- 3-[2-[4-[[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-6-oxo-2-propylpyrimidin-1-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
名称と別名
SCHEMBL1889320SCHEMBL12349204MFDBNJSNYDOMOH-UHFFFAOYSA-N5-[(4,6-dimethylpyridin-2-yl)oxy]-6-ethyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-2-propylpyrimidin-4(3H)-one
データベース識別子
- PubChem CID
- 136146744
物性
構造計算による物性
- XLogP
- 5.5
- 極性表面積
- 105 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 9
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 1,030
関連反応
2 件
化合物ノート
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