4-benzyl-3-(furan-2-yl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-benzyl-3-(furan-2-yl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
4-benzyl-3-(furan-2-yl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 4425-0026 |
| Compound Name: | 4-benzyl-3-(furan-2-yl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C20 H16 N4 O3 S |
| Smiles: | C(c1ccccc1)n1c(c2ccco2)nnc1SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1932 |
| logD: | 4.1932 |
| logSw: | -4.3532 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.929 |
| InChI Key: | IDIUSVXNTOQCIL-UHFFFAOYSA-N |