methyl ({5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D549-2579 |
| Compound Name: | methyl ({5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C17 H19 N5 O3 S2 |
| Smiles: | COC(CSc1nnc(c2c(c3cccnc3s2)N)n1CC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6346 |
| logD: | 1.633 |
| logSw: | -2.1948 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.013 |
| InChI Key: | UEWUUQQXAYPYKO-SNVBAGLBSA-N |