2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]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-[2-(methylsulfanyl)phenyl]acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | D291-0258 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C16 H17 N7 O3 S2 |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCC(Nc2ccccc2SC)=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4781 |
| logD: | 1.4734 |
| logSw: | -2.1941 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.792 |
| InChI Key: | FPQGOCCEWFFQHJ-UHFFFAOYSA-N |