4-benzyl-3-(methylsulfanyl)-5-(3-nitrophenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
4-benzyl-3-(methylsulfanyl)-5-(3-nitrophenyl)-4H-1,2,4-triazole
4-benzyl-3-(methylsulfanyl)-5-(3-nitrophenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | K822-0090 |
| Compound Name: | 4-benzyl-3-(methylsulfanyl)-5-(3-nitrophenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C16 H14 N4 O2 S |
| Smiles: | CSc1nnc(c2cccc(c2)[N+]([O-])=O)n1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0557 |
| logD: | 4.0557 |
| logSw: | -4.2289 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.622 |
| InChI Key: | VQIOEFALXCJUHP-UHFFFAOYSA-N |