8,9-dihydro-7-[(hydroxy)(5-methyl-1-trityl-1H-imidazol-4-yl)methyl]pyrido[1,2-a]indol-6(7H)-one
基本情報
- 標準SMILES
Cc1c(C(O)C2CCc3cc4ccccc4n3C2=O)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
JXQFVIWTRLOWIZ-UHFFFAOYSA-N- 分子式
- C36H31N3O2
- 平均分子量
- 537.6 g/mol
- 単同位体質量
- 537.24162724
名称と識別子
- 優先名称
- 8,9-dihydro-7-[(hydroxy)(5-methyl-1-trityl-1H-imidazol-4-yl)methyl]pyrido[1,2-a]indol-6(7H)-one
- IUPAC
- 7-[hydroxy-(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
名称と別名
SCHEMBL7267354JXQFVIWTRLOWIZ-UHFFFAOYSA-N8,9-dihydro-7-[(hydroxy) (5-methyl-1-trityl-1H-imidazol-4-yl)methyl]pyrido[1,2-a]indol-6(7H)-one8,9-dihydro-7-[(hydroxy)(5-methyl-1-trityl-1H-imidazol-4-yl)methyl]pyrido[1,2-a]indol-6(7H)-one8,9-dihydro-7-[(hydroxy)(5methyl-1-trityl-1H-imidazol-4-yl)methyl]pyrido[1,2-a]indol-6(7H)-one8,9-dihydro-7-[(hydroxy)-(5-methyl-1-trityl-1H-imidazol-4-vl-)methyl]pyrido[1,2-a]-indol-6(7H)-one8,9-dihydro-7-[(hydroxy)-(5-methyl-1-trityl-1H-imidazol-4-yl)methyl]pyrido[1,2-a]-indol-6(7H)-one
データベース識別子
- PubChem CID
- 11756993
物性
構造計算による物性
- XLogP
- 7
- 極性表面積
- 60.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 6
- 重原子数
- 41
- 形式電荷
- 0
- 複雑度
- 846
関連反応
12 件
化合物ノート
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