2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)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-(2-methoxy-5-methylphenyl)acetamide
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D549-1961 |
| Compound Name: | 2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C21 H22 N6 O2 S2 |
| Smiles: | CCn1c(c2c(c3cccnc3s2)N)nnc1SCC(Nc1cc(C)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.107 |
| logD: | 3.1053 |
| logSw: | -3.2222 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.586 |
| InChI Key: | VOWXTRCXDXKNMR-UHFFFAOYSA-N |