methyl 4-(2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D549-0022 |
| Compound Name: | methyl 4-(2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C20 H18 N6 O3 S2 |
| Smiles: | Cn1c(c2c(c3cccnc3s2)N)nnc1SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7463 |
| logD: | 2.7446 |
| logSw: | -3.2495 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.913 |
| InChI Key: | YNLOEGJSKDRJJR-UHFFFAOYSA-N |