N-[6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide

N-[6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide 基本信息
CAS号 6050-42-6 分子式 C22H21N3O2S
分子量 391.48600 精确质量  391.13500
PSA  102.82000 LogP  5.22950

基本信息 展开↓

CAS号:
6050-42-6
3D弹球模型:
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分子式:
C22H21N3O2S
分子量:
391.48600
中文名称:
N-[6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide
英文名称:
N-[6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide
中文别名:
N-[6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide
英文别名:
N-[6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide;
8-Methyl-theobromin;
3,7,8-trimethyl-3,7-dihydro-purine-2,6-dione;
3,7,8-Trimethyl-3,7-dihydro-purin-2,6-dion;
N-[(6R)-6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide
精确分子量/精确质量:
391.13500
极性分子表面积/PSA:
102.82000
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: FUNKLPFBUONSBR-UHFFFAOYSA-N

物化性质

密度:
1.319g/cm3
沸点:
481.5ºC at 760mmHg
闪点:
245ºC
折射率:
1.689

合成路线查看所有的合成路线

  • 14005-78-8

    14005-78-8

  • ~80%

  • 6050-42-6

    N-[6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide

  • 917-64-6

    magnesium,carbanide,iodide

  • +

  • 4921-55-5

    4921-55-5

  • ~59%

  • 6050-42-6

    N-[6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide

上下游相关产品

上游产品

更多
  • 14005-78-8

    N/A

  • 24168-26-1

    3,7,8-trimethyl-6-methylsulfanyl-3,7-dihydro-purin-2-one

  • 917-64-6

    magnesium,carbanide,iodide

  • 4921-55-5

    1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-3,7-dimethyl-

  • 38759-27-2

    3,7-dimethyl-6-methylthio-2(3H)-purinone

下游产品

  • 83-67-0

    可可碱

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