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结构：COC(=O)c1cc(OCc2ccc(OCc3nc(-c4ccccc4)oc3C)c(OC)c2)nn1-c1ccccc1
HCID23076574

methyl 3-{[3-methoxy-4-(5-methyl-2-phenyl-1,3-oxazol-4-ylmethoxy)benzyl]oxy}-1-phenyl-1H-pyrazole-5-carboxylate

methyl 3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazole-5-carboxylate

C30H27N3O6525.6 g/mol
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IDENTITY

结构与身份

标准 SMILES
COC(=O)c1cc(OCc2ccc(OCc3nc(-c4ccccc4)oc3C)c(OC)c2)nn1-c1ccccc1
InChIKey
ZNPTVEQHLLSOBL-UHFFFAOYSA-N
分子式
C30H27N3O6
平均分子量
525.6 g/mol
单同位素质量
525.18998559

COMPUTED

结构计算性质

已同步
XLogP
5.8
极性表面积
97.8 Ų
氢键供体
0
氢键受体
8
可旋转键
11
重原子
39
形式电荷
0
复杂度
761

ALIASES

名称与别名

共 3 条
SCHEMBL4850523ZNPTVEQHLLSOBL-UHFFFAOYSA-Nmethyl 3-{[3-methoxy-4-(5-methyl-2-phenyl-1,3-oxazol-4-ylmethoxy)benzyl]oxy}-1-phenyl-1H-pyrazole-5-carboxylate

REACTIONS

参与反应

6 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂
HRID104472

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 104472 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID281255

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 281255 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID2158066

Training data from https://doi.org/10.1039/C8SC04228D (4/10)

作为生成物
HRID 2158066 方程式

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

查看条件与参与物