2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(propan-2-yl)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-(propan-2-yl)phenyl]acetamide
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | D549-0052 |
| Compound Name: | 2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C21 H22 N6 O S2 |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1nnc(c2c(c3cccnc3s2)N)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9937 |
| logD: | 3.9921 |
| logSw: | -4.209 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.739 |
| InChI Key: | HZYLLIZXGRVCCI-UHFFFAOYSA-N |