N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-nitrobenzamide
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 4826-0008 |
| Compound Name: | N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-nitrobenzamide |
| Molecular Weight: | 324.3 |
| Molecular Formula: | C15 H12 N6 O3 |
| Smiles: | c1ccc(cc1)n1c(N)nc(NC(c2ccc(cc2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1521 |
| logD: | 2.1517 |
| logSw: | -2.9129 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.529 |
| InChI Key: | ROVHLQJYQCEAJO-UHFFFAOYSA-N |