N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

HCID 9852318
部分構造検索類似構造を探す

基本情報

標準SMILES
Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)CO)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1
InChIKey
YAWNVAQKVARTGQ-UHFFFAOYSA-N
分子式
C27H28BrN5O5S
平均分子量
614.5 g/mol

名称と識別子

優先名称
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
IUPAC
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

名称と別名

t-0201169679-53-2CHEMBL112624N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamideSCHEMBL892538orb1695125YAWNVAQKVARTGQ-UHFFFAOYSA-NBDBM50105051AKOS040754124T-0201, T0201, T 0201, TA 0201, TA0201, TA-0201N-(6-(2-((5-bromopyrimidin-2-yl)oxy)ethoxy)-5-(p-tolyl)pyrimidin-4-yl)-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamideT34762
名称をさらに表示
N-[6-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy}-5-(4-methylphenyl)-4-pyrimidinyl]-4-(2-hydroxy-1,1-dimethylethyl)benzenesulfonamideN-[6-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxyl}-5-(4-methylphenyl)-4-pyrimidinyl]-4-(2-hydroxy-1,1-dimethylethyl)benzenesulfonamideN-{6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-5-p-tolyl-pyrimidin-4-yl}-4-(2-hydroxy-1,1-dimethyl-ethyl)-benzenesulfonamide

データベース識別子

PubChem CID
9852318
ChEMBL
CHEMBL112624
Nikkaji
J1.000.985E

物性

構造計算による物性

XLogP
4.8
極性表面積
145 Ų
水素結合供与体数
2
水素結合受容体数
10
回転可能結合数
11
重原子数
39

関連反応

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