HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dipyridodiazepinone deriv. 53
Identifiers & Physical Properties
| Molecular formula | C17H16N6O |
|---|---|
| Average molar mass | 320.3 g/mol |
| Monoisotopic mass | 320.13855916 g/mol |
| SMILES | CCN1c2ncccc2C(=O)N(C)c2ccc(-c3cn[nH]c3)nc21 |
| InChIKey | RIPOGUPNVLZOCZ-UHFFFAOYSA-N |
| PubChem CID | 463573 |
| ChEMBL | CHEMBL145237 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 78 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 474 |