3-(4-nitrophenyl)-4,5-diphenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(4-nitrophenyl)-4,5-diphenyl-4H-1,2,4-triazole
3-(4-nitrophenyl)-4,5-diphenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 2002-0010 |
| Compound Name: | 3-(4-nitrophenyl)-4,5-diphenyl-4H-1,2,4-triazole |
| Molecular Weight: | 342.36 |
| Molecular Formula: | C20 H14 N4 O2 |
| Smiles: | c1ccc(cc1)c1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7225 |
| logD: | 4.7225 |
| logSw: | -5.03 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.512 |
| InChI Key: | XHHJDYNMDKPNKH-UHFFFAOYSA-N |