HCID15463551

6-[2-Hydroxy-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-trifluoromethyl-pentylamino]-4-methyl-2,3-benzoxazin-1-one

6-[[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-4-methyl-2,3-benzoxazin-1-one

C23H24F4N2O4468.4 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccc2c(=O)onc(C)c2c1)C(F)(F)F
InChIKey: ZVCDNODZUJDLPU-UHFFFAOYSA-N
分子式: C23H24F4N2O4
平均分子量: 468.4 g/mol
单同位素质量: 468.1672199

COMPUTED

结构计算性质

已同步

XLogP: 5.2
极性表面积: 80.2 Å²
氢键供体: 2
氢键受体: 10
可旋转键: 7
重原子: 33
形式电荷: 0
复杂度: 744

ALIASES

名称与别名

共 4 条

CHEMBL12572216-[2-Hydroxy-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-trifluoromethyl-pentylamino]-4-methyl-2,3-benzoxazin-1-oneSCHEMBL6554297BDBM50416870

REACTIONS

参与反应

2 条

uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06323199B1

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

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