2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | D549-1945 |
| Compound Name: | 2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C21 H22 N6 O S2 |
| Smiles: | CCn1c(c2c(c3cccnc3s2)N)nnc1SCC(Nc1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.963 |
| logD: | 3.9614 |
| logSw: | -4.0619 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.654 |
| InChI Key: | GFKORWKFXDHAHB-UHFFFAOYSA-N |