5-[1-(2-Hydroxy-2-methylpropoxy)-2,2,6,6-tetramethyl-piperidin-4-yloxycarbonyl]-2-[2-hydroxy-3-(4-chloro-alpha,alpha-dimethylbenzyl)-5-tert-butylphenyl]-2H-benzotriazole

HCID 10168895
ノート反応
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基本情報

標準SMILES
CC(C)(O)CON1C(C)(C)CC(OC(=O)c2ccc3nn(-c4cc(C(C)(C)C)cc(C(C)(C)c5ccc(Cl)cc5)c4O)nc3c2)CC1(C)C
InChIKey
ILJXQTIABUNPCX-UHFFFAOYSA-N
分子式
C39H51ClN4O5
平均分子量
691.3 g/mol
単同位体質量
690.3547984

名称と識別子

優先名称
5-[1-(2-Hydroxy-2-methylpropoxy)-2,2,6,6-tetramethyl-piperidin-4-yloxycarbonyl]-2-[2-hydroxy-3-(4-chloro-alpha,alpha-dimethylbenzyl)-5-tert-butylphenyl]-2H-benzotriazole
IUPAC
[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-[5-tert-butyl-3-[2-(4-chlorophenyl)propan-2-yl]-2-hydroxyphenyl]benzotriazole-5-carboxylate

名称と別名

SCHEMBL4814951ILJXQTIABUNPCX-UHFFFAOYSA-N5-[1-(2-Hydroxy-2-methylpropoxy)-2,2,6,6-tetramethyl-piperidin-4-yloxycarbonyl]-2-[2-hydroxy-3-(4-chloro-alpha,alpha-dimethylbenzyl)-5-tert-butylphenyl]-2H-benzotriazole5-[1-(2-Hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yloxycarbonyl]-2-[2-hydroxy-3-(4-chloro-alpha,alpha-dimethylbenzyl)-5-tert-butylphenyl]-2H-benzotriazole

データベース識別子

PubChem CID
10168895

物性

構造計算による物性

XLogP
9.7
極性表面積
110 Ų
水素結合供与体数
2
水素結合受容体数
8
回転可能結合数
10
重原子数
49

関連反応

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