5-[4-(3-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-4-methyl-1H-pyrrole-2-carboxylic acid (2-diethylamino-ethyl)-amide (HCID 69768389)

基本情報

標準SMILES: CCN(CC)CCNC(=O)c1cc(C)c(C=C2C(=O)Nc3cccc(-c4cccc(F)c4)c32)[nH]1
InChIKey: HVIPWBMWRSJICM-UHFFFAOYSA-N
分子式: C27H29FN4O2
平均分子量: 460.5 g/mol

名称と識別子

優先名称: 5-[4-(3-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-4-methyl-1H-pyrrole-2-carboxylic acid (2-diethylamino-ethyl)-amide
IUPAC: N-[2-(diethylamino)ethyl]-5-[[4-(3-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-methyl-1H-pyrrole-2-carboxamide

名称と別名

SCHEMBL6404884HVIPWBMWRSJICM-UHFFFAOYSA-N5-[4-(3-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-4-methyl-1 H-pyrrole-2-carboxylic acid (2-diethylamino-ethyl)-amide5-[4-(3-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-4-methyl-1H-pyrrole-2-carboxylic acid (2-diethylamino-ethyl)-amide5-[4-(3-fluoro-phenyl)2-oxo-1,2-dihydro-indol-3-ylidenemethyl]4-methyl-1H-pyrrole-2-carboxylic acid (2-diethylamino-ethyl)-amide

データベース識別子

PubChem CID: 69768389

物性

構造計算による物性

XLogP: 4.2
極性表面積: 77.2 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 8
重原子数: 34
形式電荷: 0
複雑度: 755

化合物ノート

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