HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 58728811Generated: October 31, 2026
1,1-dimethylethyl {1-[(4-(3-fluorophenyl)-4-{2-[(1R,5S)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-1-piperidinyl)carbonyl]-1,2-dimethylpropyl}carbamate
https://huagongshe.com/en/chemical/58728811
Identifiers & Physical Properties
| Molecular formula | C39H54FN5O3 |
|---|
| Average molar mass | 659.9 g/mol |
|---|
| Monoisotopic mass | 659.42106876 g/mol |
|---|
| SMILES | Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)C(C)(NC(=O)OC(C)(C)C)C(C)C)CC1 |
|---|
| InChIKey | KBMHACBRGGNCGX-AZAUBFSHSA-N |
|---|
| PubChem CID | 58728811 |
|---|
Chemical & Physical Properties
| XLogP | 7.4 |
|---|
| Topological polar surface area | 79.7 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 6 |
|---|
| Rotatable bonds | 10 |
|---|
| Heavy atoms | 48 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 1,120 |
|---|
![1,1-dimethylethyl {1-[(4-(3-fluorophenyl)-4-{2-[(1R,5S)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-1-piperidinyl)carbonyl]-1,2-dimethylpropyl}carbamate molecular structure](/img/chemical/58728811.png)