2-[(6S)-2,2-dimethyl-7-oxo-6-[(3-phenyl-2-sulfanylpropanoyl)amino]azepan-1-yl]acetic acid

2-[(6S)-2,2-dimethyl-7-oxo-6-[(3-phenyl-2-sulfanylpropanoyl)amino]azepan-1-yl]acetic acid 基本信息
CAS号 160135-92-2 分子式 C19H26N2O4S
分子量 378.48600 精确质量  378.16100
PSA  129.00000 LogP  2.66620

基本信息 展开↓

CAS号:
160135-92-2
3D弹球模型:
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分子式:
C19H26N2O4S
分子量:
378.48600
英文名称:
2-[(6S)-2,2-dimethyl-7-oxo-6-[(3-phenyl-2-sulfanylpropanoyl)amino]azepan-1-yl]acetic acid
英文别名:
2-[(6S)-2,2-dimethyl-7-oxo-6-[(3-phenyl-2-sulfanylpropanoyl)amino]azepan-1-yl]acetic acid;
Gemopatrilat (USAN/INN);
[S-(R*,R*)]-Hexahydro-6-[2-(mercapto-1-oxo-3-phenylpropyl)amino]-2,2-dimethyl-7-oxo-1H-azepine-1-acetic acid;
UNII-MU9089C77W;
Gemopatrilat [USAN];
[14C]-Gemopatrilat;
gemopatrilat;
hexahydro-6-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-2,2-dimethyl-7-oxo-1H-azepine-1-acetic acid
精确分子量/精确质量:
378.16100
极性分子表面积/PSA:
129.00000
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: YRSVDSQRGBYVIY-GJZGRUSLSA-N

物化性质展开↓

密度:
1.25g/cm3
沸点:
649.6ºC at 760 mmHg
闪点:
346.6ºC
折射率:
1.591
蒸汽压:
9.28E-18mmHg at 25°C

合成路线查看所有的合成路线

  • 160135-15-9

    160135-15-9

  • ~92%

  • 160135-92-2

    2-[(6S)-2,2-dimethyl-7-oxo-6-[(3-phenyl-2-sulfanylpropanoyl)amino]azepan-1-yl]acetic acid

  • 229976-40-3

    229976-40-3

  • ~90%

  • 160135-92-2

    2-[(6S)-2,2-dimethyl-7-oxo-6-[(3-phenyl-2-sulfanylpropanoyl)amino]azepan-1-yl]acetic acid

  • 182886-84-6

    182886-84-6

  • 160135-92-2

    2-[(6S)-2,2-dimethyl-7-oxo-6-[(3-phenyl-2-sulfanylpropanoyl)amino]azepan-1-yl]acetic acid

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