基本情報
- CAS
70085-02-8- 標準SMILES
COC(=O)c1cc(C(=O)C(C)C)sc1N=Nc1cc2c(cc1C)N(CCO)C(C)CC2- InChIKey
RUWCXVKHFMTLPL-UHFFFAOYSA-N- 分子式
- C23H29N3O4S
- 平均分子量
- 443.6 g/mol
- 単同位体質量
- 443.18787759
名称と識別子
- 優先名称
- 3-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-[2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl]diazenyl]-, methyl ester
- IUPAC
- methyl 2-[[1-(2-hydroxyethyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-5-(2-methylpropanoyl)thiophene-3-carboxylate
名称と別名
DTXSID308876893-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-(2-(1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl)diazenyl)-, methyl ester3-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-[2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl]diazenyl]-, methyl esterRefChem:505467DTXCID0010269763-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-((1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl)azo)-, methyl ester70085-02-83-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-[[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl]azo]-, methyl esterRUWCXVKHFMTLPL-UHFFFAOYSA-N2-(1,2,3,4-Tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl)azo)-5-(2-methyl-1-oxopropyl)-3-carbomethoxythiopheneMethyl 2-{[1-(2-hydroxyethyl)-2,7-dimethyl-1,2,3,4-tetrahydroquinolin-6-yl]diazenyl}-5-(2-methylpropanoyl)thiophene-3-carboxylate
データベース識別子
- CAS
70085-02-8- PubChem CID
- 112189
- DTXSID
DTXSID30887689- Nikkaji
- J1.602.788J
物性
構造計算による物性
- XLogP
- 5.3
- 極性表面積
- 120 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 8
- 回転可能結合数
- 8
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 673
化学と産業
用途と製造
General Manufacturing Information3-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-[2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl]diazenyl]-, methyl ester: INACTIVE
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化合物ノート
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