uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07705023B2
查看
HCID68697296
5-(4-tert-Butylphenyl)-1-(4-(2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yloxy)phenyl)indole-2-carboxylic acid hydrochloride
5-(4-tert-butylphenyl)-1-[4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]indole-2-carboxylic acid;hydrochloride
C34H40ClN3O4590.1 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CN1CCN(C(=O)C(C)(C)Oc2ccc(-n3c(C(=O)O)cc4cc(-c5ccc(C(C)(C)C)cc5)ccc43)cc2)CC1.Cl
- InChIKey
- ICHXVTXFWXMGER-UHFFFAOYSA-N
- 分子式
- C34H40ClN3O4
- 平均分子量
- 590.1 g/mol
- 单同位素质量
- 589.2707345
COMPUTED
结构计算性质
- 极性表面积
- 75 Ų
- 氢键供体
- 2
- 氢键受体
- 5
- 可旋转键
- 7
- 重原子
- 42
- 形式电荷
- 0
- 复杂度
- 907
ALIASES
名称与别名
SCHEMBL3572427ICHXVTXFWXMGER-UHFFFAOYSA-N5-(4-tert-Butylphenyl)-1-(4-(2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yloxy)phenyl)indole-2-carboxylic acid hydrochloride
REACTIONS
参与反应