t-Butyl 4-(4-(5-(3-(4-cyanophenyl)azetidine-1-carbonyl)-2-methylphenyl)-5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate
基本情報
- 標準SMILES
Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c1C- InChIKey
JDVUMQYUOGNXFL-UHFFFAOYSA-N- 分子式
- C32H37N5O3
- 平均分子量
- 539.7 g/mol
名称と識別子
- 優先名称
- t-Butyl 4-(4-(5-(3-(4-cyanophenyl)azetidine-1-carbonyl)-2-methylphenyl)-5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-5-methyl-1H-imidazol-2-yl]piperidine-1-carboxylate
名称と別名
SCHEMBL15544152SCHEMBL15601568JDVUMQYUOGNXFL-UHFFFAOYSA-Nt-Butyl 4-(4-(5-(3-(4-cyanophenyl)azetidine-1-carbonyl)-2-methylphenyl)-5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylatetert-butyl 4-(4-(5-(3-(4-cyanophenyl) azetidine-1-carbonyl)-2-methylphenyl)-5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylatetert-butyl 4-(4-(5-(3-(4-cyanophenyl)azetidine-1-carbonyl)-2-methylphenyl)-5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate
データベース識別子
- PubChem CID
- 90021783
物性
構造計算による物性
- XLogP
- 4.7
- 極性表面積
- 102 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 6
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 949
関連反応
8 件
化合物ノート
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