HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dipyridodiazepinone deriv. 41
Identifiers & Physical Properties
| Molecular formula | C18H17N5O |
|---|---|
| Average molar mass | 319.4 g/mol |
| Monoisotopic mass | 319.14331018 g/mol |
| SMILES | CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccc[nH]3)nc21 |
| InChIKey | IPVNHELRRJRWDT-UHFFFAOYSA-N |
| PubChem CID | 463561 |
| ChEMBL | CHEMBL357221 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 65.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 472 |