基本情報
- 標準SMILES
Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1B1OC(C)(C)C(C)(C)O1- InChIKey
QNMUPBKYOZRPBZ-UHFFFAOYSA-N- 分子式
- C22H28BNO3S
- 平均分子量
- 397.3 g/mol
名称と識別子
- 優先名称
- N-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
- IUPAC
- N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
名称と別名
910235-71-1N-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamideSCHEMBL1068162SCHEMBL29709500QNMUPBKYOZRPBZ-UHFFFAOYSA-NDB-099586D870614,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid [2-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amide4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid[2-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amide4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylicacid [2-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amideBenzo[b]thiophene-2-carboxamide, 4,5,6,7-tetrahydro-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-Benzo[b]thiophene-2-carboxamide,4,5,6,7-tetrahydro-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
データベース識別子
- PubChem CID
- 58729134
物性
構造計算による物性
- 極性表面積
- 75.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 582
関連反応
10 件
化合物ノート
読み込み中…