基本情報
- 標準SMILES
CC(=O)CC(C)C.CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1- InChIKey
ZHURYDDHFYWWAD-UHFFFAOYSA-N- 分子式
- C47H49ClN6O2
- 平均分子量
- 765.4 g/mol
名称と識別子
- 優先名称
- 2-n-butyl-4-chloro 1-[(2'-(2-triphenylmethyl-2H-tetrazol-5-yl)-1,1'biphenyl-4-yl)-me thyl]-1H-imidazol-5-methanol methyl-isobutyl ketone
- IUPAC
- [2-butyl-5-chloro-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol;4-methylpentan-2-one
名称と別名
SCHEMBL6755889ZHURYDDHFYWWAD-UHFFFAOYSA-N2-n-butyl-4-chloro -1-[(2'-(2-triphenylmethyl-2H-tetrazol-5-yl)-1,1'-biphenyl-4-yl)-methyl]-1H-imidazol-5-methanol methyl-isobutyl ketone2-n-butyl-4-chloro 1-[(2'-(2-triphenylmethyl-2H-tetrazol-5-yl)-1,1'biphenyl-4-yl) -methyl]-1H-imidazol-5-methanol methyl-isobutyl ketone2-n-butyl-4-chloro 1-[(2'-(2-triphenylmethyl-2H-tetrazol-5-yl)-1,1'biphenyl-4-yl)-me thyl]-1H-imidazol-5-methanol methyl-isobutyl ketone2-n-butyl-4-chloro-1-[(2'-(2-triphenylmethyl -2H-tetrazol-5-yl)-1,1'-biphenyl-4-yl)-methyl]1H-imidazol-5-methanol methyl-isobutyl ketone
データベース識別子
- PubChem CID
- 69886909
物性
構造計算による物性
- 極性表面積
- 98.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 14
- 重原子数
- 56
- 形式電荷
- 0
- 複雑度
- 996
関連反応
4 件
化合物ノート
読み込み中…