HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-[3-(8-Chloro-3-phenylcinnolin-4-yl)phenyl]-N'-phenylurea
![N-[3-(8-Chloro-3-phenylcinnolin-4-yl)phenyl]-N'-phenylurea molecular structure](/img/chemical/11856440.png)
Identifiers & Physical Properties
| Molecular formula | C27H19ClN4O |
|---|---|
| Average molar mass | 450.9 g/mol |
| Monoisotopic mass | 450.1247389 g/mol |
| SMILES | O=C(Nc1ccccc1)Nc1cccc(-c2c(-c3ccccc3)nnc3c(Cl)cccc23)c1 |
| InChIKey | AMEQHGOSQFWFDQ-UHFFFAOYSA-N |
| PubChem CID | 11856440 |
Chemical & Physical Properties
| XLogP | 5.7 |
|---|---|
| Topological polar surface area | 66.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 33 |
| Formal charge | 0 |
| Complexity | 636 |