uspto-grants-1991_01 · 10.6084/m9.figshare.5104873.v1 · US04981865
查看![4-[[[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]methyl]hydroxyamino]-4-oxo-butanoic acid, methyl ester 分子结构式](/api/mol/15027393/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)CCC(=O)N(O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
- InChIKey
- LDUBIXNXVJVRTG-UHFFFAOYSA-N
- 分子式
- C23H23ClN2O6
- 平均分子量
- 458.9 g/mol
- 单同位素质量
- 458.1244642
COMPUTED
结构计算性质
- XLogP
- 3.4
- 极性表面积
- 98.1 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 8
- 重原子
- 32
- 形式电荷
- 0
- 复杂度
- 683
ALIASES
名称与别名
LDUBIXNXVJVRTG-UHFFFAOYSA-N4-[[[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]methyl]hydroxyamino]-4-oxo-butanoic acid, methyl ester4-[[[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-lH-indol-3-yl]methyl]hydroxyamino]-4-oxo-butanoic acid, methyl ester
REACTIONS
