2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-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-phenyl-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-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | D291-0329 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 493.5 |
| Molecular Formula: | C22 H19 N7 O5 S |
| Smiles: | CC(Nc1c(c2nnc(n2c2ccccc2)SCC(Nc2ccc3c(c2)OCCO3)=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8462 |
| logD: | 1.8458 |
| logSw: | -2.5379 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.975 |
| InChI Key: | SWCNKFDTZQOPED-UHFFFAOYSA-N |