HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86629655Generated: October 27, 2026
3-tert-butoxycarbonyl-7-chloro-6-(6-chloro-pyridazin-3-ylmethylthio)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
https://huagongshe.com/en/chemical/86629655
Identifiers & Physical Properties
| Molecular formula | C20H23Cl2N3O2S |
|---|
| Average molar mass | 440.4 g/mol |
|---|
| Monoisotopic mass | 439.0888035 g/mol |
|---|
| SMILES | CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(Cl)nn3)c2CC1 |
|---|
| InChIKey | UOGWGMYLSUKGBD-UHFFFAOYSA-N |
|---|
| PubChem CID | 86629655 |
|---|
Chemical & Physical Properties
| XLogP | 4.7 |
|---|
| Topological polar surface area | 80.6 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 5 |
|---|
| Heavy atoms | 28 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 534 |
|---|
![3-tert-butoxycarbonyl-7-chloro-6-(6-chloro-pyridazin-3-ylmethylthio)-2,3,4,5-tetrahydro-1H-benzo[d]azepine molecular structure](/img/chemical/86629655.png)