(2S)-tert-butyl 2-((2-(5-bromo-2-(2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)ethylamino)pyrimidin-4-yl)benzo[b]thiophen-5-yloxy)methyl)pyrrolidine-1-carboxylate

HCID 68465987

基本情報

標準SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc2sc(-c3nc(NCCN4C(=O)NC(=O)C4(C)C)ncc3Br)cc2c1
InChIKey
ZDXCTNQRRADAQL-SFHVURJKSA-N
分子式
C29H35BrN6O5S
平均分子量
659.6 g/mol
単同位体質量
658.1573

名称と識別子

優先名称
(2S)-tert-butyl 2-((2-(5-bromo-2-(2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)ethylamino)pyrimidin-4-yl)benzo[b]thiophen-5-yloxy)methyl)pyrrolidine-1-carboxylate
IUPAC
tert-butyl (2S)-2-[[2-[5-bromo-2-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1-benzothiophen-5-yl]oxymethyl]pyrrolidine-1-carboxylate

名称と別名

SCHEMBL2983293ZDXCTNQRRADAQL-SFHVURJKSA-N(2S)-tert-butyl 2-((2-(5-bromo-2-(2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)ethylamino)pyrimidin-4-yl)benzo[b]thiophen-5-yloxy)methyl)pyrrolidine-1-carboxylate(2S)-tert-Butyl 2-((2-(5-bromo-2-(2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)ethylamino)pyrimidin-4-yl)benzo[b]thiophen-5-yloxy)methyl)pyrrolidine-l-carboxylate

データベース識別子

PubChem CID
68465987

物性

構造計算による物性

XLogP
4.8
極性表面積
154 Ų
水素結合供与体数
2
水素結合受容体数
9
回転可能結合数
10
重原子数
42

関連反応

4 件

化合物ノート

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