4-([3-(tert-butyldimethylsilanyloxy)phenyl]{3-[N-(3-fluorophenyl)-N-methyl-carbamoyl]phenyl}hydroxymethyl)piperidine-1-carboxylic acid tert-butyl ester
基本情報
- 標準SMILES
CN(C(=O)c1cccc(C(O)(c2cccc(O[Si](C)(C)C(C)(C)C)c2)C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1cccc(F)c1- InChIKey
KKOYNJZJHMJXGB-UHFFFAOYSA-N- 分子式
- C37H49FN2O5Si
- 平均分子量
- 648.9 g/mol
名称と識別子
- 優先名称
- 4-([3-(tert-butyldimethylsilanyloxy)phenyl]{3-[N-(3-fluorophenyl)-N-methyl-carbamoyl]phenyl}hydroxymethyl)piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-[3-[(3-fluorophenyl)-methylcarbamoyl]phenyl]-hydroxymethyl]piperidine-1-carboxylate
名称と別名
SCHEMBL6469249KKOYNJZJHMJXGB-UHFFFAOYSA-N4-([3-(tert-butyldimethylsilanyloxy)phenyl]{3-[N-(3-fluorophenyl)-N-methyl-carbamoyl]phenyl}hydroxymethyl)piperidine-1-carboxylic acid tert-butyl ester4-([3-(tert-butyldimethylsilanyloxy)phenyl]{3-[n-(3-fluorophenyl)-n-methylcarbamoyl]phenyl}hydroxymethyl)piperidine-1-carboxylic acid tert-butyl ester
データベース識別子
- PubChem CID
- 69790890
物性
構造計算による物性
- 極性表面積
- 79.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 10
- 重原子数
- 46
- 形式電荷
- 0
- 複雑度
- 1,040
関連反応
3 件
化合物ノート
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