名称: 2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]acetic acid
SMILES:
CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)CC(=O)O分子加工
分子式
C15H17ClN2O2S
分子量
324.83
精确质量
324.0699
XLogP
3.71
TPSA
55.12
氢键给体数
1
氢键受体数
3
可旋转键
7
重原子数
21
环数
2
芳香环
2
饱和环
0
脂环
0
立体中心
0
未定义立体
0
形式电荷
0
杂原子数
6
共价单元
1
sp3占比
0.333
摩尔折射率
85.14
补充信息
InChIKey: WUJIWPXWTACMEQ-UHFFFAOYSA-N
同义词
SCHEMBL7054174WUJIWPXWTACMEQ-UHFFFAOYSA-N1-(2-chlorophenyl)methyl-5-carboxymethyl-2-propylthio-1H-imidazole5-carboxymethyl-1-(2-chlorophenyl)methyl-2-propylthio-1H-imidazole2-[1-(2-chlorophenyl)methyl-2-propylthio-1H-imidazol-5-yl]acetic acid2-[1-{(2-chlorophenyl)methyl}-2-propylthio-1H-imidazol-5-yl]acetic acid5-carboxymethyl-1-1-(2-chloro-phenyl) methyl-2-propylthio-1H-imidazole5-carboxymethyl-1-1-(2-chloro-phenyl)methyl-2-propylthio-1H-imidazole5-carboxymethyl-1-1-(2-chlorophenyl)methyl-2-propylthio-1H-imidazole
参与 22 个反应→