2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | K822-0253 |
| Compound Name: | 2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 446.49 |
| Molecular Formula: | C22 H18 N6 O3 S |
| Smiles: | C(c1ccccc1)n1c(c2cccnc2)nnc1SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5807 |
| logD: | 3.5504 |
| logSw: | -3.6226 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.018 |
| InChI Key: | VAHFLNUGNKWARC-UHFFFAOYSA-N |