2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Compound characteristics
| Compound ID: | D549-0038 |
| Compound Name: | 2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C20 H18 N6 O3 S2 |
| Smiles: | Cn1c(c2c(c3cccnc3s2)N)nnc1SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2499 |
| logD: | 2.2483 |
| logSw: | -2.9752 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.176 |
| InChI Key: | NKIHAFIFVBHBSI-UHFFFAOYSA-N |