HCID86743580

Diethyl 2-dimethylamino-5-phenylthio-2,4-hexadienedioate

ethyl 5-(dimethylamino)-6-ethoxy-2-phenyl-6-sulfanylidenehexa-2,4-dienoate

C18H23NO3S333.4 g/mol

查看相关反应登录后使用结构检索

IDENTITY

结构与身份

标准SMILES: CCOC(=O)C(=CC=C(C(=S)OCC)N(C)C)c1ccccc1
InChIKey: LGFXXWMXKUQLNQ-UHFFFAOYSA-N
分子式: C18H23NO3S
平均分子量: 333.4 g/mol
单同位素质量: 333.13986477

COMPUTED

结构计算性质

已同步

XLogP: 4.2
极性表面积: 70.9 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 9
重原子: 23
形式电荷: 0
复杂度: 463

ALIASES

名称与别名

共 3 条

SCHEMBL10418167LGFXXWMXKUQLNQ-UHFFFAOYSA-Ndiethyl 2-dimethylamino-5-phenylthio-2,4-hexadienedioate

REACTIONS

参与反应

62 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

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

作为反应物

HRID 125064 方程式

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

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

作为反应物

HRID 142212 方程式

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

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

作为反应物

HRID 186808 方程式

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

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

作为反应物

HRID 208852 方程式

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

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

作为反应物

HRID 303718 方程式

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

uspto-grants-1989_12

作为反应物

HRID 477304 方程式

uspto-grants-1989_12 · 10.6084/m9.figshare.5104873.v1 · US04886835

uspto-grants-1989_12

作为反应物

HRID 477309 方程式

uspto-grants-1989_12 · 10.6084/m9.figshare.5104873.v1 · US04886835

uspto-grants-1989_12

作为反应物

HRID 477313 方程式

uspto-grants-1989_12 · 10.6084/m9.figshare.5104873.v1 · US04886835