N-(2-methoxy-5-nitrophenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(2-methoxy-5-nitrophenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0447 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 402.32 |
| Molecular Formula: | C16 H14 N6 O7 |
| Smiles: | COc1ccc(cc1)n1nc(c(Nc2cc(ccc2OC)[N+]([O-])=O)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8869 |
| logD: | 2.8868 |
| logSw: | -3.4908 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 123.941 |
| InChI Key: | OPRZVUJXAWOFBV-UHFFFAOYSA-N |