N-(6-methylpyridin-2-yl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(6-methylpyridin-2-yl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(6-methylpyridin-2-yl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D419-0720 |
| Compound Name: | N-(6-methylpyridin-2-yl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 446.49 |
| Molecular Formula: | C22 H18 N6 O3 S |
| Smiles: | Cc1cccc(NC(CSc2nnc(c3cccc(c3)[N+]([O-])=O)n2c2ccccc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3012 |
| logD: | 4.3011 |
| logSw: | -4.36 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.233 |
| InChI Key: | DGVSSEPZTQYYPV-UHFFFAOYSA-N |