HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 46190332Generated: October 29, 2026
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
https://huagongshe.com/en/chemical/46190332
Identifiers & Physical Properties
| Molecular formula | C36H53N7O5S |
|---|
| Average molar mass | 695.9 g/mol |
|---|
| Monoisotopic mass | 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 |
|---|
Chemical & Physical Properties
| XLogP | 3.5 |
|---|
| Topological polar surface area | 128 |
|---|
| Hydrogen bond donors | 2 |
|---|
| Hydrogen bond acceptors | 9 |
|---|
| Rotatable bonds | 11 |
|---|
| Heavy atoms | 49 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 1,220 |
|---|
![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 molecular structure](/img/chemical/46190332.png)