5-{[(4-ethoxy-3-nitrophenyl)methyl]sulfanyl}-2-methyl-4-nitro-1H-imidazole
Chemical Structure Depiction of
5-{[(4-ethoxy-3-nitrophenyl)methyl]sulfanyl}-2-methyl-4-nitro-1H-imidazole
5-{[(4-ethoxy-3-nitrophenyl)methyl]sulfanyl}-2-methyl-4-nitro-1H-imidazole
Compound characteristics
| Compound ID: | 8016-0080 |
| Compound Name: | 5-{[(4-ethoxy-3-nitrophenyl)methyl]sulfanyl}-2-methyl-4-nitro-1H-imidazole |
| Molecular Weight: | 338.34 |
| Molecular Formula: | C13 H14 N4 O5 S |
| Smiles: | CCOc1ccc(CSc2c(nc(C)[nH]2)[N+]([O-])=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4882 |
| logD: | 2.4217 |
| logSw: | -2.7481 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.906 |
| InChI Key: | CSUOBZLTLBGNIU-UHFFFAOYSA-N |