2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1-(3-nitrophenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1-(3-nitrophenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1-(3-nitrophenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | D417-0078 |
| Compound Name: | 2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1-(3-nitrophenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C25 H22 N4 O5 |
| Smiles: | Cc1cc2C(C3C(c4cccc(c4)[N+]([O-])=O)N(CCCn4ccnc4)C(C=3Oc2cc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7039 |
| logD: | 3.462 |
| logSw: | -3.909 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.893 |
| InChI Key: | HKKPTMASVOWALX-JOCHJYFZSA-N |