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

HCID 58729134

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

関連反応

10 件

化合物ノート

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