methyl 4-[({5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
methyl 4-[({5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | D549-2599 |
| Compound Name: | methyl 4-[({5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C23 H23 N5 O3 S2 |
| Smiles: | COC(c1ccc(CSc2nnc(c3c(c4cccnc4s3)N)n2CC2CCCO2)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4298 |
| logD: | 3.4282 |
| logSw: | -3.6158 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.336 |
| InChI Key: | VAZVPROLCWCHBL-MRXNPFEDSA-N |