结构:Cc1c(C)c(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(C)c2c1OC(C)(C)C2c1ccccc1
HCID21961337

5,6-Dichloro-(2,2,4,6,7-pentamethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-yl)-1H-isoindole-1,3(2H)-dione

5,6-dichloro-2-(2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-yl)isoindole-1,3-dione

C27H23Cl2NO3480.4 g/mol

IDENTITY

结构与身份

标准 SMILES
Cc1c(C)c(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(C)c2c1OC(C)(C)C2c1ccccc1
InChIKey
RXJNSOBRMMSKOX-UHFFFAOYSA-N
分子式
C27H23Cl2NO3
平均分子量
480.4 g/mol
单同位素质量
479.105499

COMPUTED

结构计算性质

已同步
XLogP
6.9
极性表面积
46.6 Ų
氢键供体
0
氢键受体
3
可旋转键
2
重原子
33
形式电荷
0
复杂度
768

ALIASES

名称与别名

5
5,6-Dichloro-2-(2,2,4,6,7-pentamethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-yl)-1H-isoindole-1,3(2H)-dione5,6-dichloro-2-[2,2,4,6,7-pentamethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-yl]-1H-isoindole-1,3(2H)-dioneSCHEMBL4038805RXJNSOBRMMSKOX-UHFFFAOYSA-N5,6-Dichloro-(2,2,4,6,7-pentamethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-yl)-1H-isoindole-1,3(2H)-dione

REACTIONS

参与反应

7
HRID304462

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

作为生成物
HRID 304462 方程式

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

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