HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 54698317Generated: November 4, 2026
N-[(4-fluorophenyl)methyl]-3-hydroxy-10,10-dimethyl-4-oxo-6,7,8,9-tetrahydropyrimido[1,2-a][1,4]diazepine-2-carboxamide
https://huagongshe.com/en/chemical/54698317
Identifiers & Physical Properties
| Molecular formula | C18H21FN4O3 |
|---|
| Average molar mass | 360.4 g/mol |
|---|
| Monoisotopic mass | 360.15976871 g/mol |
|---|
| SMILES | CC1(C)NCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O |
|---|
| InChIKey | FLPRWHQUZWATIH-UHFFFAOYSA-N |
|---|
| PubChem CID | 54698317 |
|---|
| ChEMBL | CHEMBL563270 |
|---|
Chemical & Physical Properties
| XLogP | 1.3 |
|---|
| Topological polar surface area | 94 |
|---|
| Hydrogen bond donors | 3 |
|---|
| Hydrogen bond acceptors | 6 |
|---|
| Rotatable bonds | 3 |
|---|
| Heavy atoms | 26 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 651 |
|---|
![N-[(4-fluorophenyl)methyl]-3-hydroxy-10,10-dimethyl-4-oxo-6,7,8,9-tetrahydropyrimido[1,2-a][1,4]diazepine-2-carboxamide molecular structure](/img/chemical/54698317.png)