HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(3-Chlorophenyl)-6-methoxy-2-[3-(4-morpholinyl)propyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
1-(3-chlorophenyl)-6-methoxy-2-[3-(4-morpholinyl)propyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione · [1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 1-(3-chlorophenyl)-1,2-dihydro-6-methoxy-2-[3-(4-morpholinyl)propyl]-
![1-(3-Chlorophenyl)-6-methoxy-2-[3-(4-morpholinyl)propyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione molecular structure](/img/chemical/178795339.png)
Identifiers & Physical Properties
| CAS No. | 879473-09-3 |
|---|---|
| Molecular formula | C25H25ClN2O5 |
| Average molar mass | 468.9 g/mol |
| SMILES | COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)C3c1cccc(Cl)c1 |
| InChIKey | UPQZZWGFTPOKND-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 68.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 6 |
| Heavy atoms | 33 |
| Formal charge | 0 |
| Complexity | 783 |
| Boiling point | 677.0±55.0 °C(Predicted) |
| Density | 1.40±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 7.27±0.10(Predicted) |