HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 14098490Generated: October 23, 2026
2,3-Dihydro-2-[2-[[(4-methoxyphenyl)methyl]methylamino]ethyl]-4-methylpyrido[3,2-f]-1,4-oxazepine-5(4H)-thione
https://huagongshe.com/en/chemical/14098490
Identifiers & Physical Properties
| Molecular formula | C20H25N3O2S |
|---|
| Average molar mass | 371.5 g/mol |
|---|
| Monoisotopic mass | 371.16674822 g/mol |
|---|
| SMILES | COc1ccc(CN(C)CCC2CN(C)C(=S)c3cccnc3O2)cc1 |
|---|
| InChIKey | FYMHLOFZFITERO-UHFFFAOYSA-N |
|---|
| PubChem CID | 14098490 |
|---|
| ChEMBL | CHEMBL304097 |
|---|
Chemical & Physical Properties
| XLogP | 2.9 |
|---|
| Topological polar surface area | 69.9 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 6 |
|---|
| Heavy atoms | 26 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 456 |
|---|
![2,3-Dihydro-2-[2-[[(4-methoxyphenyl)methyl]methylamino]ethyl]-4-methylpyrido[3,2-f]-1,4-oxazepine-5(4H)-thione molecular structure](/img/chemical/14098490.png)