N-[4-methyl-3-[1-methyl-7-[(6-methylpyridin-3-yl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-[1-methyl-7-[(6-methylpyridin-3-yl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide 基本信息
CAS号 839706-07-9 分子式 C28H24F3N7O2
分子量 547.53100 精确质量  547.19400
PSA  106.84000 LogP  6.66650

基本信息 展开↓

CAS号:
839706-07-9
3D弹球模型:
立即前往扯扯看
分子式:
C28H24F3N7O2
分子量:
547.53100
英文名称:
N-[4-methyl-3-[1-methyl-7-[(6-methylpyridin-3-yl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
英文别名:
N-[4-methyl-3-[1-methyl-7-[(6-methylpyridin-3-yl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide;
2H-1,4-Benzothiazine,urea deriv.
精确分子量/精确质量:
547.19400
极性分子表面积/PSA:
106.84000
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: SZNYUUZOQHNEKB-UHFFFAOYSA-N

合成路线查看所有的合成路线

  • 80287-53-2

    6-methylpyridin-3-amine

  • +

  • 839705-68-9

    N-(4-methyl-3-(1-methyl-7-(methylsulfonyl)-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)-benzamide

  • ~32%

  • 839706-07-9

    N-[4-methyl-3-[1-methyl-7-[(6-methylpyridin-3-yl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide

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  • 80287-53-2

    6-methylpyridin-3-amine

  • 839705-68-9

    N-(4-methyl-3-(1-methyl-7-(methylsulfonyl)-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)-benzamide

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