1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-1H-imidazole-5-thiol
Chemical Structure Depiction of
1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-1H-imidazole-5-thiol
1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-1H-imidazole-5-thiol
Compound characteristics
| Compound ID: | 8002-4813 |
| Compound Name: | 1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-1H-imidazole-5-thiol |
| Molecular Weight: | 324.31 |
| Molecular Formula: | C12 H12 N4 O5 S |
| Smiles: | Cc1nc(c(n1Cc1ccc(c(c1)[N+]([O-])=O)OC)S)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5815 |
| logD: | -1.7111 |
| logSw: | -2.1182 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.766 |
| InChI Key: | DLWFVNCQQNGXPD-UHFFFAOYSA-N |