2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
Chemical Structure Depiction of
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
Compound characteristics
| Compound ID: | D549-0047 |
| Compound Name: | 2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide |
| Molecular Weight: | 477.57 |
| Molecular Formula: | C21 H19 N9 O S2 |
| Smiles: | Cn1c(c2c(c3cccnc3s2)N)nnc1SCC(Nc1ccc(Cn2cncn2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5004 |
| logD: | 1.4988 |
| logSw: | -2.3976 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.716 |
| InChI Key: | XPZYRTSVNVDFNO-UHFFFAOYSA-N |