1-ethyl-6-fluoro-7-[4-[(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)oxy]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid

1-ethyl-6-fluoro-7-[4-[(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)oxy]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid 基本信息
CAS号 117458-86-3 分子式 C21H22FN3O7
分子量 447.41400 精确质量  447.14400
PSA  110.54000 LogP  2.31190

基本信息 展开↓

CAS号:
117458-86-3
3D弹球模型:
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分子式:
C21H22FN3O7
分子量:
447.41400
中文名称:
1-ethyl-6-fluoro-7-[4-[(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)oxy]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
英文名称:
1-ethyl-6-fluoro-7-[4-[(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)oxy]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
中文别名:
1-ethyl-6-fluoro-7-[4-[(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)oxy]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
英文别名:
1-ethyl-6-fluoro-7-[4-[(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)oxy]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;
2-acetylamino-4-methyl-thiazole;
2-acetamido-4-methylthiazole;
4-methyl-2-acetamidothiazole
精确分子量/精确质量:
447.14400
极性分子表面积/PSA:
110.54000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: ZBDVTPRXALZLIJ-UHFFFAOYSA-N

物化性质展开↓

密度:
1.5g/cm3
沸点:
620ºC at 760mmHg
闪点:
328.8ºC
折射率:
1.649
蒸汽压:
3.13E-16mmHg at 25°C

合成路线查看所有的合成路线

  • 118376-55-9

    4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-1-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl)piperazine 1-oxide

  • ~95%

  • 117458-86-3

    1-ethyl-6-fluoro-7-[4-[(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)oxy]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid

  • 85195-76-2

    1-ethyl-6-fluoro-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid

  • ~70%

  • 117458-86-3

    1-ethyl-6-fluoro-7-[4-[(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)oxy]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid

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  • 85195-76-2

    1-ethyl-6-fluoro-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid

  • 118376-55-9

    4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-1-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl)piperazine 1-oxide

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