methyl 3-[({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 3-[({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 3-[({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: | D549-2183 |
| Compound Name: | methyl 3-[({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(c1cccc(CSc2nnc(c3c(c4cccnc4s3)N)n2Cc2ccco2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4122 |
| logD: | 4.4106 |
| logSw: | -4.556 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.43 |
| InChI Key: | SLEMRRUGJMOYNP-UHFFFAOYSA-N |