N-benzyl-2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-benzyl-2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-benzyl-2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0961 |
| Compound Name: | N-benzyl-2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 345.74 |
| Molecular Formula: | C15 H12 Cl N5 O3 |
| Smiles: | C(c1ccccc1)Nc1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1606 |
| logD: | 3.1606 |
| logSw: | -3.5364 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.406 |
| InChI Key: | NAJJZUSKDGHFHK-UHFFFAOYSA-N |