N-[[2-chloro-4-[5-(3,4,5-trichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]phenyl]methyl]phthalimide 分子结构式
HCID86761690

N-[[2-chloro-4-[5-(3,4,5-trichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]phenyl]methyl]phthalimide

2-[[2-chloro-4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]isoindole-1,3-dione

C25H13Cl4F3N2O3588.2 g/mol

IDENTITY

结构与身份

标准SMILES
O=C1c2ccccc2C(=O)N1Cc1ccc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1Cl
InChIKey
RLVIVMKQZPXGPE-UHFFFAOYSA-N
分子式
C25H13Cl4F3N2O3
平均分子量
588.2 g/mol
单同位素质量
585.963238

COMPUTED

结构计算性质

已同步
XLogP
7.2
极性表面积
59 Ų
氢键供体
0
氢键受体
7
可旋转键
4
重原子
37
形式电荷
0
复杂度
917

ALIASES

名称与别名

共 2 条
N-[[2-chloro-4-[5-(3,4,5-trichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]phenyl]methyl]phthalimideSCHEMBL981067

REACTIONS

参与反应

4
HRID 696688 反应方程式

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

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HRID 1880235 反应方程式

uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08318757B2

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HRID 1880236 反应方程式

uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08318757B2

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HRID 2159309 反应方程式

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

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