2-Cyclopropyl-methyl-6-(3-fluoro-4-methoxyphenyl)-4-hydroxymethyl-2H-pyridazin-3-one

HCID 67214477

基本情報

標準SMILES: COc1ccc(-c2nn(C3CC3)c(=O)c(CO)c2C)cc1F
InChIKey: ALUVHYLFOAPRDI-UHFFFAOYSA-N
分子式: C16H17FN2O3
平均分子量: 304.32 g/mol

名称と識別子

優先名称: 2-Cyclopropyl-methyl-6-(3-fluoro-4-methoxyphenyl)-4-hydroxymethyl-2H-pyridazin-3-one
IUPAC: 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-(hydroxymethyl)-5-methylpyridazin-3-one

名称と別名

SCHEMBL1927906ALUVHYLFOAPRDI-UHFFFAOYSA-N2-Cyclopropyl-methyl-6-(3-fluoro-4-methoxyphenyl)-4-h ydroxymethyl-2H-pyridazin-3-one2-Cyclopropyl-methyl-6-(3-fluoro-4-methoxyphenyl)-4-hydroxymethyl-2H-pyridazin-3-one

データベース識別子

PubChem CID: 67214477

物性

構造計算による物性

XLogP: 2.1
極性表面積: 62.1 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 22
形式電荷: 0
複雑度: 527