2-methyl-4-nitro-5-{[(3-nitro-4-propoxyphenyl)methyl]sulfanyl}-1H-imidazole
Chemical Structure Depiction of
2-methyl-4-nitro-5-{[(3-nitro-4-propoxyphenyl)methyl]sulfanyl}-1H-imidazole
2-methyl-4-nitro-5-{[(3-nitro-4-propoxyphenyl)methyl]sulfanyl}-1H-imidazole
Compound characteristics
| Compound ID: | 8016-3313 |
| Compound Name: | 2-methyl-4-nitro-5-{[(3-nitro-4-propoxyphenyl)methyl]sulfanyl}-1H-imidazole |
| Molecular Weight: | 352.37 |
| Molecular Formula: | C14 H16 N4 O5 S |
| Smiles: | CCCOc1ccc(CSc2c(nc(C)[nH]2)[N+]([O-])=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1647 |
| logD: | 3.0982 |
| logSw: | -3.3883 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.2 |
| InChI Key: | ZNZFETLIFMRYBL-UHFFFAOYSA-N |