2-{2-[7-Chloro-3-(3,5-dimethylphenyl)-2-oxo-6-(5-oxo-4,5-dihydro-tetrazol-1-yl)-1,2-dihydro-quinolin-4-yloxy]-ethyl}-piperidine-1-carboxylic acid 2-trimethylsilanylethyl ester
基本情報
- 標準SMILES
Cc1cc(C)cc(-c2c(OCCC3CCCCN3C(=O)OCC[Si](C)(C)C)c3cc(-n4nn[nH]c4=O)c(Cl)cc3[nH]c2=O)c1- InChIKey
QROHNNQWGQQZAS-UHFFFAOYSA-N- 分子式
- C31H39ClN6O5Si
- 平均分子量
- 639.2 g/mol
名称と識別子
- 優先名称
- 2-{2-[7-Chloro-3-(3,5-dimethylphenyl)-2-oxo-6-(5-oxo-4,5-dihydro-tetrazol-1-yl)-1,2-dihydro-quinolin-4-yloxy]-ethyl}-piperidine-1-carboxylic acid 2-trimethylsilanylethyl ester
- IUPAC
- 2-trimethylsilylethyl 2-[2-[[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-6-(5-oxo-1H-tetrazol-4-yl)-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylate
名称と別名
SCHEMBL8185925QROHNNQWGQQZAS-UHFFFAOYSA-N2-{2-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-6-(5-oxo-4,5-dihydro-tetrazol-1-yl) -1,2-dihydro-quinolin-4-yloxy]-ethyl}-piperidine-1-carboxylic acid 2-trimethylsilanylethyl ester2-{2-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-6-(5-oxo-4,5-dihydro-tetrazol-1-yl)-1,2-dihydro-quinolin-4-yloxy]-ethyl}-piperidine-1-carboxylic acid 2-trimethylsilanylethyl ester
データベース識別子
- PubChem CID
- 136333719
物性
構造計算による物性
- 極性表面積
- 125 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 7
- 回転可能結合数
- 10
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 1,140
関連反応
2 件
化合物ノート
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