1-[(2-fluorophenyl)methyl]-3-nitro-5-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}-1H-1,2,4-triazole
Chemical Structure Depiction of
1-[(2-fluorophenyl)methyl]-3-nitro-5-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}-1H-1,2,4-triazole
1-[(2-fluorophenyl)methyl]-3-nitro-5-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8016-3972 |
| Compound Name: | 1-[(2-fluorophenyl)methyl]-3-nitro-5-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}-1H-1,2,4-triazole |
| Molecular Weight: | 441.4 |
| Molecular Formula: | C18 H12 F N7 O4 S |
| Smiles: | C(c1ccccc1F)n1c(nc(n1)[N+]([O-])=O)Sc1nc(c[nH]1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4326 |
| logD: | 4.4321 |
| logSw: | -4.5668 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.587 |
| InChI Key: | FBUJHMIRLBKVEN-UHFFFAOYSA-N |