17319-11-8 ((6-chloro-1-({2-[ethyl(2-hydroxyethyl)amino]ethyl}amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one)

快速询单

结构式：

6-chloro-1-({2-[ethyl(2-hydroxyethyl)amino]ethyl}amino)-4-(hydroxymethyl)-9H-thioxanthen-9-oneMOL文件

CAS号：

17319-11-8

英文名称：

6-chloro-1-({2-[ethyl(2-hydroxyethyl)amino]ethyl}amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one

分子式：

C₂₀H₂₃ClN₂O₃S

分子量：

406.926223039627

6-chloro-1-({2-[ethyl(2-hydroxyethyl)amino]ethyl}amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one(17319-11-8)名称与标识符

名称

英文别名：

6-chloro-1-({2-[ethyl(2-hydroxyethyl)amino]ethyl}amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one;6-chloro-1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-(hydroxymethyl)thioxanthen-9-one;9H-Thioxanthen-9-one, 6-chloro-1-((2-(ethyl(2-hydroxyethyl)amino)ethyl)amino)-4-(hydroxymethyl)-;9H-Thioxanthen-9-one, 6-chloro-1-[[2-[ethyl(2-hydroxyethyl)amino]ethyl]amino]-4-(hydroxymethyl)-;AC1L2IA2;AC1Q3RKH;AR-1H1167;CTK4D4537;NSC 166374;SW 4;SW-4;NSC166374;NSC-166374;Q27263890;Thioxanthen-9-one, 6-chloro-1-[[2-[ethyl(2-hydroxyethyl)amino]ethyl]amino]-4-(hydroxymethyl)-;6-CHLORO-1-(2-(N-ETHYL-N-2-HYDROXYETHYLAMINO)ETHYLAMINO)-4-HYDROXYMETHYLTHIOXANTHEN-9-ONE;17319-11-8;DTXSID00169540;UNII-65NOM7AS4L;65NOM7AS4L;

标识符

InChIKey：

CTALNPUOYPMUNW-UHFFFAOYSA-N

Inchi：

1S/C20H23ClN2O3S/c1-2-23(9-10-24)8-7-22-16-6-3-13(12-25)20-18(16)19(26)15-5-4-14(21)11-17(15)27-20/h3-6,11,22,24-25H,2,7-10,12H2,1H3

SMILES：

ClC1C=CC2=C(C=1)SC1C(CO)=CC=C(C=1C2=O)NCCN(CC)CCO

6-chloro-1-({2-[ethyl(2-hydroxyethyl)amino]ethyl}amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one(17319-11-8)物化性质

实验特性

LogP : 3.35950
PSA : 72.8
折射率 : 1.681
沸点 : 645.5°Cat760mmHg
闪点 : 344.2°C
密度 : 1.381

计算特性

精确分子量 : 406.11199
氢键供体数量 : 3
氢键受体数量 : 6
可旋转化学键数量 : 8
同位素质量 : 406.112
重原子数量 : 27
复杂度 : 498
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.3
拓扑分子极性表面积 : 98.1A^2

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