2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D549-2979 |
| Compound Name: | 2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 493.61 |
| Molecular Formula: | C22 H23 N9 O S2 |
| Smiles: | C=CCn1c(c2c(c3cccnc3s2)N)nnc1SCC(N1CCN(CC1)c1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5446 |
| logD: | 2.543 |
| logSw: | -2.6331 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.773 |
| InChI Key: | NAIFIBBWZXCPHE-UHFFFAOYSA-N |