2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | D291-0193 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 417.4 |
| Molecular Formula: | C16 H15 N7 O5 S |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCC(Nc2ccc3c(c2)OCO3)=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2557 |
| logD: | 1.2509 |
| logSw: | -2.3371 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.606 |
| InChI Key: | IMAHZLJVLZHIQW-UHFFFAOYSA-N |