2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | D549-0646 |
| Compound Name: | 2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 480.61 |
| Molecular Formula: | C23 H24 N6 O2 S2 |
| Smiles: | Cc1ccc(cc1C)n1c(c2c(c3cccnc3s2)N)nnc1SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4342 |
| logD: | 3.4341 |
| logSw: | -3.6867 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.552 |
| InChI Key: | GRLULFRGBWIFFO-UHFFFAOYSA-N |