ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8008-7128 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 337.32 |
| Molecular Formula: | C10 H11 N9 O3 S |
| Smiles: | CCOC(c1c(CSc2nc[nH]n2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1515 |
| logD: | 0.1434 |
| logSw: | -1.9879 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 137.747 |
| InChI Key: | QYBOJMNFBWEXAA-UHFFFAOYSA-N |