HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 22317455Generated: November 4, 2026
4-[3-(2,6-Dimethyl-pyridin-4-yl)-phenyl]-7-(methyl-propyl-amino)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
https://huagongshe.com/en/chemical/22317455
Identifiers & Physical Properties
| Molecular formula | C27H27F3N4O |
|---|
| Average molar mass | 480.5 g/mol |
|---|
| Monoisotopic mass | 480.21369598 g/mol |
|---|
| SMILES | CCCN(C)c1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3cc(C)nc(C)c3)c1)=N2 |
|---|
| InChIKey | IVMOHFGWHHHJOE-UHFFFAOYSA-N |
|---|
| PubChem CID | 22317455 |
|---|
Chemical & Physical Properties
| XLogP | 5.7 |
|---|
| Topological polar surface area | 57.6 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 7 |
|---|
| Rotatable bonds | 5 |
|---|
| Heavy atoms | 35 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 762 |
|---|
![4-[3-(2,6-Dimethyl-pyridin-4-yl)-phenyl]-7-(methyl-propyl-amino)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one molecular structure](/img/chemical/22317455.png)