化工社化工社化学信息打印报告 · 仅供科研参考
7-{4-[2-(4-dimethylamino-piperidin-1-yl)-acetyl]-piperazin-1-ylmethyl}-1-methyl-1H-indole-2-carboxylic acid-(5-tert-butyl-3-methanesulphonylamino-2-methoxy-phenyl)-amide
![7-{4-[2-(4-dimethylamino-piperidin-1-yl)-acetyl]-piperazin-1-ylmethyl}-1-methyl-1H-indole-2-carboxylic acid-(5-tert-butyl-3-methanesulphonylamino-2-methoxy-phenyl)-amide 分子结构式](/img/chemical/46190332.png)
标识与物理属性
| 分子式 | C36H53N7O5S |
|---|---|
| 平均分子量 | 695.9 g/mol |
| 单同位素质量 | 695.38288899 g/mol |
| SMILES | COc1c(NC(=O)c2cc3cccc(CN4CCN(C(=O)CN5CCC(N(C)C)CC5)CC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O |
| InChIKey | BIPKNIPLJQIRNI-UHFFFAOYSA-N |
| PubChem CID | 46190332 |
化学与物理性质
| XLogP | 3.5 |
|---|---|
| 极性表面积 | 128 |
| 氢键供体 | 2 |
| 氢键受体 | 9 |
| 可旋转键 | 11 |
| 重原子 | 49 |
| 形式电荷 | 0 |
| 复杂度 | 1,220 |