2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | D291-0064 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 445.46 |
| Molecular Formula: | C18 H19 N7 O5 S |
| Smiles: | CCn1c(c2c(NC(C)=O)non2)nnc1SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0096 |
| logD: | 1.0049 |
| logSw: | -2.2958 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.228 |
| InChI Key: | JNDCNNMKECLBME-UHFFFAOYSA-N |