N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0182 |
| Compound Name: | N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 357.32 |
| Molecular Formula: | C16 H15 N5 O5 |
| Smiles: | COc1ccc(cc1)n1nc(c(Nc2cccc(c2)OC)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.045 |
| logD: | 3.045 |
| logSw: | -3.458 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.171 |
| InChI Key: | AECSFQRHJKEIHZ-UHFFFAOYSA-N |