uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091242B2
查看![tert-Butyl-4-{[(1-(3,4-dimethoxyphenyl)-3-{[4-({[(2-methylphenyl)amino]carbonyl}amino) phenyl]amino}-3-oxopropyl)amino]carbonyl}benzoate 分子结构式](/api/mol/10146247/svg/360x280.svg)
HCID10146247
tert-Butyl-4-{[(1-(3,4-dimethoxyphenyl)-3-{[4-({[(2-methylphenyl)amino]carbonyl}amino) phenyl]amino}-3-oxopropyl)amino]carbonyl}benzoate
tert-butyl 4-[[1-(3,4-dimethoxyphenyl)-3-[4-[(2-methylphenyl)carbamoylamino]anilino]-3-oxopropyl]carbamoyl]benzoate
C37H40N4O7652.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(C(CC(=O)Nc2ccc(NC(=O)Nc3ccccc3C)cc2)NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)cc1OC
- InChIKey
- QIYFIMIZPCZYKH-UHFFFAOYSA-N
- 分子式
- C37H40N4O7
- 平均分子量
- 652.7 g/mol
- 单同位素质量
- 652.28969963
COMPUTED
结构计算性质
- XLogP
- 5.2
- 极性表面积
- 144 Ų
- 氢键供体
- 4
- 氢键受体
- 7
- 可旋转键
- 13
- 重原子
- 48
- 形式电荷
- 0
- 复杂度
- 1,060
ALIASES
名称与别名
SCHEMBL5896459QIYFIMIZPCZYKH-UHFFFAOYSA-Ntert-Butyl-4-{[(1-(3,4-dimethoxyphenyl)-3-{[4-({[(2-methylphenyl)amino]carbonyl}amino) phenyl]amino}-3-oxopropyl)amino]carbonyl}benzoate
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D
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