结构:CCOC(=O)C=Cc1cc(OCc2ccc(OCc3nc(-c4ccccc4)oc3C)c(OC)c2)nn1-c1ccccc1
HCID90828846

Ethyl 3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]prop-2-enoate

C33H31N3O6565.6 g/mol

IDENTITY

结构与身份

标准 SMILES
CCOC(=O)C=Cc1cc(OCc2ccc(OCc3nc(-c4ccccc4)oc3C)c(OC)c2)nn1-c1ccccc1
InChIKey
OZYOGLQHTQWEOS-UHFFFAOYSA-N
分子式
C33H31N3O6
平均分子量
565.6 g/mol
单同位素质量
565.22128572

COMPUTED

结构计算性质

已同步
XLogP
6.3
极性表面积
97.8 Ų
氢键供体
0
氢键受体
8
可旋转键
13
重原子
42
形式电荷
0
复杂度
848

REACTIONS

参与反应

2
HRID1211227

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为生成物
HRID 1211227 方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID2323211

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

作为反应物
HRID 2323211 方程式

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

查看条件与参与物