2-[3-(1H-imidazol-1-yl)propyl]-7-methyl-1-(4-nitrophenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
2-[3-(1H-imidazol-1-yl)propyl]-7-methyl-1-(4-nitrophenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
2-[3-(1H-imidazol-1-yl)propyl]-7-methyl-1-(4-nitrophenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | D417-0141 |
| Compound Name: | 2-[3-(1H-imidazol-1-yl)propyl]-7-methyl-1-(4-nitrophenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 444.45 |
| Molecular Formula: | C24 H20 N4 O5 |
| Smiles: | Cc1ccc2c(c1)C(C1C(c3ccc(cc3)[N+]([O-])=O)N(CCCn3ccnc3)C(C=1O2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0418 |
| logD: | 2.7999 |
| logSw: | -3.3601 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.893 |
| InChI Key: | DMKNJIZSKSKZHP-OAQYLSRUSA-N |