methyl 2-[({5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 2-[({5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
methyl 2-[({5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | D549-2180 |
| Compound Name: | methyl 2-[({5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C23 H19 N5 O3 S2 |
| Smiles: | COC(c1ccccc1CSc1nnc(c2c(c3cccnc3s2)N)n1Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.457 |
| logD: | 4.4554 |
| logSw: | -4.4941 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.43 |
| InChI Key: | CLADTQKMHRKHFR-UHFFFAOYSA-N |