4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol
4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-9014 |
| Compound Name: | 4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 312.35 |
| Molecular Formula: | C15 H12 N4 O2 S |
| Smiles: | C(c1ccccc1)n1c(c2ccc(cc2)[N+]([O-])=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.448 |
| logD: | 2.8176 |
| logSw: | -3.5611 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.096 |
| InChI Key: | FNPPASJCBXHHNZ-UHFFFAOYSA-N |