2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0818 |
| Compound Name: | 2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 391.77 |
| Molecular Formula: | C16 H14 Cl N5 O5 |
| Smiles: | COc1cc(cc(c1)OC)Nc1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7299 |
| logD: | 3.7299 |
| logSw: | -4.2553 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.171 |
| InChI Key: | WERSVOBHAPUVRX-UHFFFAOYSA-N |