HCID178453722

[2-(4-{4-[N'-(3,5-Diamino-6-chloropyrazine-2-carbonyl)guanidino]butyl}phenoxy)ethyl]-carbamic acid tert-butyl ester

tert-butyl N-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethyl]carbamate

C23H33ClN8O4521 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)NCCOc1ccc(CCCCNC(N)=NC(=O)c2nc(Cl)c(N)nc2N)cc1
InChIKey: UFQPGHYBUJNTII-UHFFFAOYSA-N
分子式: C23H33ClN8O4
平均分子量: 521 g/mol
单同位素质量: 520.2313293

COMPUTED

结构计算性质

等待补全

XLogP: 3.4
极性表面积: 193 Å²
氢键供体: 5
氢键受体: 9
可旋转键: 13
重原子: 36
形式电荷: 0
复杂度: 727

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 4 条

SCHEMBL2329793SCHEMBL2329797UFQPGHYBUJNTII-UHFFFAOYSA-N[2-(4-{4-[N'-(3,5-Diamino-6-chloropyrazine-2-carbonyl)guanidino]butyl}phenoxy)ethyl]-carbamic acid tert-butyl ester

REACTIONS

参与反应

5 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846688B2

查看

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846688B2

查看

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198286B2

查看

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198286B2

查看

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

查看