uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04762925
查看![4-[alpha-(2,4-Ditert.-pentylphenoxy)-butyroyl]-6-hydroxy-7-(4-trifluoromethylphenylureido)-1,4-benzoxazine-3-one 分子结构式](/api/mol/86740820/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)N1C(=O)COc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c(O)cc21
- InChIKey
- XTCQHUXDLWQXAN-UHFFFAOYSA-N
- 分子式
- C36H42F3N3O6
- 平均分子量
- 669.7 g/mol
- 单同位素质量
- 669.30257055
COMPUTED
结构计算性质
- XLogP
- 9
- 极性表面积
- 117 Ų
- 氢键供体
- 3
- 氢键受体
- 9
- 可旋转键
- 10
- 重原子
- 48
- 形式电荷
- 0
- 复杂度
- 1,120
ALIASES
名称与别名
4-[alpha-(2,4-ditert.-pentylphenoxy)-butyroyl]-6-hydroxy-7-(4-trifluoromethylphenylureido)-1,4-benzoxazine-3-one
REACTIONS
