3-(4-benzyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine
Chemical Structure Depiction of
3-(4-benzyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine
3-(4-benzyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine
Compound characteristics
| Compound ID: | 4425-0025 |
| Compound Name: | 3-(4-benzyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C21 H17 N5 O2 S |
| Smiles: | C(c1ccccc1)n1c(c2cccnc2)nnc1SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7631 |
| logD: | 3.7336 |
| logSw: | -3.8853 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.869 |
| InChI Key: | QJDRCNUHJGLPAI-UHFFFAOYSA-N |