CAS 256414-75-2|5-[4-phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole|5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole...

基本信息

化学结构

分子式

C₂₀H₁₀F₆N₂OS

分子量

440.3616192

精确质量

440.04180327

电荷

InChI

InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H

InChIKey

OYMNPJXKQVTQTR-UHFFFAOYSA-N

Canonic Smiles

FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F

Isomeric Smiles

c1(sc(c2nc(no2)c2cc(C(F)(F)F)ccc2)cc1c1ccccc1)C(F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

7.4271483

LogD (pH = 7.4)

7.4271483

Log P

7.4271483

摩尔折射率

120.9444

极化性

37.792873

极化表面积

38.92

可自由旋转的化学键

里宾斯基五规则

false

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

5-[4-phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazoleSEW28715-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]- 1,2,4-oxadiazoleSEW 2871

IUPAC传统名

5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

IUPAC标准名

5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

名称和标识

数据登录号

CAS号

MDL号

PubChem CID

PubChem SID

数据登录号

化合物性质

产品相关信息

纯度

97%

≥98% (HPLC)

Empirical Formula (Hill Notation)

C20H10F6N2OS

质检报告

下载链接

理化性质

溶解度

DMSO: ≥10 mg/mL

H2O: insoluble

外观

white solid

熔点

94.5-95.3 °C

药理学性质

化合物信息

ID:101943