4'-[(1-{2,2-dimethyl-4-[(triisopropylsilyl)oxy]-3,4-dihydro-2H-chromen-6-yl}-2-methyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl)methyl]biphenyl-2-carbonitrile

HCID 57460409

基本情報

標準SMILES
CCCc1nc(C)n(-c2ccc3c(c2)C(O[Si](C(C)C)(C(C)C)C(C)C)CC(C)(C)O3)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1
InChIKey
XPXDQSBBHVGWAR-UHFFFAOYSA-N
分子式
C42H53N3O3Si
平均分子量
676 g/mol

名称と識別子

優先名称
4'-[(1-{2,2-dimethyl-4-[(triisopropylsilyl)oxy]-3,4-dihydro-2H-chromen-6-yl}-2-methyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl)methyl]biphenyl-2-carbonitrile
IUPAC
2-[4-[[1-[2,2-dimethyl-4-tri(propan-2-yl)silyloxy-3,4-dihydrochromen-6-yl]-2-methyl-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]benzonitrile

名称と別名

SCHEMBL1890118XPXDQSBBHVGWAR-UHFFFAOYSA-N4'-[(1-{2,2-dimethyl-4-[(triisopropylsilyl)oxy]-3,4-dihydro-2H-chromen-6-yl}-2-methyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl)methyl]biphenyl-2-carbonitrile

データベース識別子

PubChem CID
57460409

物性

構造計算による物性

極性表面積
74.9 Ų
水素結合供与体数
0
水素結合受容体数
5
回転可能結合数
11
重原子数
49

関連反応

5 件

化合物ノート

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