N'-(2-Dimethylaminoethyl)-2-methoxy-N'-methyl-N-[5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine

HCID 71270206

基本情報

標準SMILES: COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncc(C)c(-c2cn(C)c3ccccc23)n1
InChIKey: WKGLUUJYFZUFJW-UHFFFAOYSA-N
分子式: C26H31N7O3
平均分子量: 489.6 g/mol

名称と識別子

優先名称: N'-(2-Dimethylaminoethyl)-2-methoxy-N'-methyl-N-[5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine
IUPAC: 4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine

名称と別名

SCHEMBL14719107WKGLUUJYFZUFJW-UHFFFAOYSA-NN'-(2-dimethylaminoethyl)-2-methoxy-N'-methyl-N-[5-methyl-4-(1-methy-lindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamineN'-(2-dimethylaminoethyl)-2-methoxy-N'-methyl-N-[5-methyl-4-(1-methyl-indol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamineN'-(2-Dimethylaminoethyl)-2-methoxy-N'-methyl-N-[5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine

データベース識別子

PubChem CID: 71270206

物性

構造計算による物性

XLogP: 4.1
極性表面積: 104 Å²
水素結合供与体数: 1
水素結合受容体数: 8
回転可能結合数: 8
重原子数: 36
形式電荷: 0
複雑度: 722