2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopentyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopentyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopentyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | D549-1791 |
| Compound Name: | 2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopentyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C22 H21 F N6 O S2 |
| Smiles: | C1CCC(C1)n1c(c2c(c3cccnc3s2)N)nnc1SCC(Nc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7599 |
| logD: | 3.7581 |
| logSw: | -4.2077 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.902 |
| InChI Key: | UWGVOIFVLBMRQA-UHFFFAOYSA-N |