2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Chemical Structure Depiction of
2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Compound characteristics
| Compound ID: | K822-0258 |
| Compound Name: | 2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide |
| Molecular Weight: | 480.38 |
| Molecular Formula: | C22 H18 Br N5 O S |
| Smiles: | C(c1ccccc1)n1c(c2cccnc2)nnc1SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3468 |
| logD: | 4.3172 |
| logSw: | -4.111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.636 |
| InChI Key: | FGXFQYNKFYRTMZ-UHFFFAOYSA-N |