5-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-2-phenyl-2H-1,2,3-triazole-4-carboxamide
5-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | 8015-0515 |
| Compound Name: | 5-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-2-phenyl-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 435.47 |
| Molecular Formula: | C19 H17 N9 O2 S |
| Smiles: | Cn1c(c2cccnc2)nnc1SCC(Nc1c(C(N)=O)nn(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1199 |
| logD: | 0.0825 |
| logSw: | -1.5988 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.52 |
| InChI Key: | GXFPLJZRSVVAOA-UHFFFAOYSA-N |