5-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-2-methyl-4-nitro-1H-imidazole
Chemical Structure Depiction of
5-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-2-methyl-4-nitro-1H-imidazole
5-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-2-methyl-4-nitro-1H-imidazole
Compound characteristics
| Compound ID: | 5803-0039 |
| Compound Name: | 5-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-2-methyl-4-nitro-1H-imidazole |
| Molecular Weight: | 358.21 |
| Molecular Formula: | C12 H12 Br N3 O3 S |
| Smiles: | Cc1nc(c([nH]1)SCc1ccc(c(c1)[Br])OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0331 |
| logD: | 2.9666 |
| logSw: | -3.3008 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.246 |
| InChI Key: | RHKDGYATGLEILO-UHFFFAOYSA-N |