2-[4-(methylsulfanyl)phenyl]-4-[4-(4-{2-[4-(methylsulfanyl)phenyl]-4-(4-nitrophenyl)-1H-imidazol-5-yl}phenoxy)phenyl]-5-(4-nitrophenyl)-1H-imidazole
Chemical Structure Depiction of
2-[4-(methylsulfanyl)phenyl]-4-[4-(4-{2-[4-(methylsulfanyl)phenyl]-4-(4-nitrophenyl)-1H-imidazol-5-yl}phenoxy)phenyl]-5-(4-nitrophenyl)-1H-imidazole
2-[4-(methylsulfanyl)phenyl]-4-[4-(4-{2-[4-(methylsulfanyl)phenyl]-4-(4-nitrophenyl)-1H-imidazol-5-yl}phenoxy)phenyl]-5-(4-nitrophenyl)-1H-imidazole
Compound characteristics
| Compound ID: | 8005-3915 |
| Compound Name: | 2-[4-(methylsulfanyl)phenyl]-4-[4-(4-{2-[4-(methylsulfanyl)phenyl]-4-(4-nitrophenyl)-1H-imidazol-5-yl}phenoxy)phenyl]-5-(4-nitrophenyl)-1H-imidazole |
| Molecular Weight: | 788.91 |
| Molecular Formula: | C44 H32 N6 O5 S2 |
| Smiles: | CSc1ccc(cc1)c1nc(c2ccc(cc2)Oc2ccc(cc2)c2c(c3ccc(cc3)[N+]([O-])=O)nc(c3ccc(cc3)SC)[nH]2)c(c2ccc(cc2)[N+]([O-])=O)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 12.1818 |
| logD: | 12.1817 |
| logSw: | -6.0172 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.381 |
| InChI Key: | WNJVWDLRURGTJI-UHFFFAOYSA-N |