5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid

5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid 基本信息
CAS号 1026785-55-6 分子式 C25H35NO4S
分子量 445.61500 精确质量  445.22900
PSA  106.08000 LogP  5.30670

基本信息 展开↓

CAS号:
1026785-55-6
3D弹球模型:
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分子式:
C25H35NO4S
分子量:
445.61500
中文名称:
5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
英文名称:
5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
中文别名:
5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
英文别名:
5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid;
5-(3,3-dimethylbut-1-ynyl)-3-[(trans-4-hydroxycyclohexyl)-(4-trans-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid;
Lomibuvir;
VX-222 (VCH-222,Lomibuvir);
VCH222;
5-(3,3-dimethylbut-1-ynyl)-3-((1r,4r)-N-(4-hydroxycyclohexyl)-4-methylcyclohexanecarboxamido)thiophene-2-carboxylic acid;
VX222;
5-(3,3-dimethylbut-1-ynyl)-3-[(trans-4-hydroxycyclohexyl)-(trans-4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
精确分子量/精确质量:
445.22900
极性分子表面积/PSA:
106.08000
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: WPMJNLCLKAKMLA-VVPTUSLJSA-N

合成路线查看所有的合成路线

  • 1026785-63-6

    methyl 5-(3,3-dimethylbut-1-ynyl)-3-[(trans-4-hydroxycyclohexyl)-(trans-4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate

  • ~78%

  • 1026785-55-6

    5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid

  • 914780-25-9

    3-[1,4-二噁螺[4.5]-8-癸基[(反式-4-甲基环己基)羰基]氨基]-2-噻吩羧酸甲酯

  • 1026785-55-6

    5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid

  • 4746-97-8

    1,4-环己二酮单乙二醇缩酮

  • 1026785-55-6

    5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid

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    methyl 5-(3,3-dimethylbut-1-ynyl)-3-[(trans-4-hydroxycyclohexyl)-(trans-4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate

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