HCID69244324

ethyl N-(3,6-dimethoxyquinoxalin-2-yl)carbamate

C13H15N3O4277.28 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)Nc1nc2ccc(OC)cc2nc1OC
InChIKey: PJXHQHMNDJQOSI-UHFFFAOYSA-N
分子式: C13H15N3O4
平均分子量: 277.28 g/mol
单同位素质量: 277.10625597

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 82.6 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 5
重原子: 20
形式电荷: 0
复杂度: 329

ALIASES

名称与别名

共 3 条

SCHEMBL4928281PJXHQHMNDJQOSI-UHFFFAOYSA-Nethyl N-(3,6-dimethoxyquinoxalin-2-yl)carbamate

REACTIONS

参与反应

60 条

HRID 136753 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

HRID 180481 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

HRID 198750 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

HRID 692773 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

HRID 823285 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

HRID 939389 反应方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

HRID 941071 反应方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

HRID 960007 反应方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D