2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0854 |
| Compound Name: | 2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 386.32 |
| Molecular Formula: | C16 H14 N6 O6 |
| Smiles: | Cc1cc(ccc1Nc1c(nn(c2ccc(cc2)OC)[n+]1[O-])[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2712 |
| logD: | 3.2712 |
| logSw: | -3.4478 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.311 |
| InChI Key: | QFJGNKGFRGRABT-UHFFFAOYSA-N |