N-(4-bromophenyl)-2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(4-bromophenyl)-2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(4-bromophenyl)-2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1024 |
| Compound Name: | N-(4-bromophenyl)-2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 410.61 |
| Molecular Formula: | C14 H9 Br Cl N5 O3 |
| Smiles: | c1cc(cc(c1)[Cl])n1nc(c(Nc2ccc(cc2)[Br])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4388 |
| logD: | 4.4388 |
| logSw: | -4.5488 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.084 |
| InChI Key: | PMFAQOWODDJXTJ-UHFFFAOYSA-N |