7,8-Dimethoxy-[10,11-dihydro-5H-pyrrolo [2,1-c][1,4]benzodiazepin-10-yl][2-methyl-2'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methanone
基本情報
- 標準SMILES
COc1cc2c(cc1OC)N(C(=O)c1ccc(-c3ccccc3C(F)(F)F)c(C)c1)Cc1cccn1C2- InChIKey
JLLRDEHNYUZQHN-UHFFFAOYSA-N- 分子式
- C29H25F3N2O3
- 平均分子量
- 506.5 g/mol
- 単同位体質量
- 506.18172715
名称と識別子
- 優先名称
- 7,8-Dimethoxy-[10,11-dihydro-5H-pyrrolo [2,1-c][1,4]benzodiazepin-10-yl][2-methyl-2'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methanone
- IUPAC
- (2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]methanone
名称と別名
7,8-Dimethoxy-[10,11-dihydro-5H-pyrrolo [2,1-c][1,4]benzodiazepin-10-yl][2-methyl-2'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methanoneSCHEMBL57818627,8-Dimethoxy-[10,11-dihydro-5H-pyrrolo[2,1-c][1,4] benzodiazepin-10-yl]-[2-methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl]methanone7,8-Dimethoxy-[10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl]-[2-methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl]methanone7,8-Dimethoxy-[10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl][2-methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl]methanone
データベース識別子
- PubChem CID
- 21947748
物性
構造計算による物性
- XLogP
- 5.7
- 極性表面積
- 43.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 4
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 795
関連反応
6 件
化合物ノート
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