N-[5-methanesulfonyl-4-(4-methanesulfonyl-3-pentafluorosulfanylphenoxy)-2-methylbenzoyl]guanidine, hydrochloride 分子结构式
HCID178428845

N-[5-methanesulfonyl-4-(4-methanesulfonyl-3-pentafluorosulfanylphenoxy)-2-methylbenzoyl]guanidine, hydrochloride

N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-[4-methylsulfonyl-3-(pentafluoro-lambda6-sulfanyl)phenoxy]benzamide;hydrochloride

C17H19ClF5N3O6S3588 g/mol

IDENTITY

结构与身份

标准SMILES
Cc1cc(Oc2ccc(S(C)(=O)=O)c(S(F)(F)(F)(F)F)c2)c(S(C)(=O)=O)cc1C(=O)NC(=N)N.Cl
InChIKey
OCVLJXZFTKORJI-UHFFFAOYSA-N
分子式
C17H19ClF5N3O6S3
平均分子量
588 g/mol
单同位素质量
587.0044674

COMPUTED

结构计算性质

已同步
极性表面积
177 Ų
氢键供体
3
氢键受体
11
可旋转键
5
重原子
35
形式电荷
0
复杂度
1,050

ALIASES

名称与别名

共 2 条
OCVLJXZFTKORJI-UHFFFAOYSA-NN-[5-methanesulfonyl-4-(4-methanesulfonyl-3-pentafluorosulfanylphenoxy)-2-methylbenzoyl]guanidine, hydrochloride

REACTIONS

参与反应

1
HRID 269421 反应方程式

uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07446225B2

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