2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide
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-cyclohexylacetamide
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide
Compound characteristics
| Compound ID: | D549-0057 |
| Compound Name: | 2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide |
| Molecular Weight: | 402.54 |
| Molecular Formula: | C18 H22 N6 O S2 |
| Smiles: | Cn1c(c2c(c3cccnc3s2)N)nnc1SCC(NC1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5514 |
| logD: | 2.5499 |
| logSw: | -2.6662 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.786 |
| InChI Key: | XCZVVFWBRNHPQE-UHFFFAOYSA-N |