2-Amino-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-N-(1-methylethyl)benzo(b)thiophene-3-carboxamide
基本情報
- CAS
588678-89-1- 標準SMILES
CC(C)NC(=O)c1c(N)sc2c1CCC(C(C)(C)C)C2- InChIKey
BKXIKQLSJPQYOO-UHFFFAOYSA-N- 分子式
- C16H26N2OS
- 平均分子量
- 294.5 g/mol
- 単同位体質量
- 294.17658463
名称と識別子
- 優先名称
- 2-Amino-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-N-(1-methylethyl)benzo(b)thiophene-3-carboxamide
- IUPAC
- 2-amino-6-tert-butyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- 英語名
- 2-Amino-6-tert-butyl-N-isopropyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- 分子式
- C16H26N2OS
- 分子量
- 294.46
名称と別名
588678-89-12-Amino-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-N-(1-methylethyl)benzo[b]thiophene-3-carboxamide2-Amino-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-N-(1-methylethyl)benzo(b)thiophene-3-carboxamideRefChem:2557732-amino-6-tert-butyl-N-isopropyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide2-Amino-6-(tert-butyl)-N-isopropyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide2-amino-6-tert-butyl-N-(propan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideMFCD039439922-amino-6-tert-butyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideOprea1_509948DTXSID501115819ALBB-002034
名称をさらに表示
Benzo[b]thiophene-3-carboxamide, 2-amino-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-N-(1-methylethyl)-
BBL016846STK436066AKOS003330737AKOS017258616VS-05622ST50842956H219022-amino-6-tert-butyl-N-isopropyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
データベース識別子
- CAS
588678-89-1- PubChem CID
- 4508149
- DTXSID
DTXSID501115819
物性
構造計算による物性
- XLogP
- 4.7
- 極性表面積
- 83.4 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 364
関連反応
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