HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-[4-(Benzyloxy)-3-chloro-5-ethoxyphenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
![6-[4-(Benzyloxy)-3-chloro-5-ethoxyphenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine molecular structure](/img/chemical/178819834.png)
Identifiers & Physical Properties
| CAS No. | 353787-08-3 |
|---|---|
| Molecular formula | C27H25ClN4O3S |
| Average molar mass | 521 g/mol |
| SMILES | CCOc1cc(C2Nc3ccccc3-c3nnc(SCC)nc3O2)cc(Cl)c1OCc1ccccc1 |
| InChIKey | AJVRSSPQJYMXIS-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 6.2 |
|---|---|
| Topological polar surface area | 104 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 8 |
| Heavy atoms | 36 |
| Formal charge | 0 |
| Complexity | 675 |