methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3-triazole-4-carboxylate
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8015-5084 |
| Compound Name: | methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 330.26 |
| Molecular Formula: | C13 H10 N6 O5 |
| Smiles: | COC(c1c(c2ccc3c(c2)OCO3)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5547 |
| logD: | 1.5547 |
| logSw: | -1.9833 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.376 |
| InChI Key: | GTYDCBUEPFKUJH-UHFFFAOYSA-N |