ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(thiocyanato)methyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(thiocyanato)methyl]-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(thiocyanato)methyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 6703-0853 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(thiocyanato)methyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 295.28 |
| Molecular Formula: | C9 H9 N7 O3 S |
| Smiles: | CCOC(c1c(CSC#N)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5928 |
| logD: | 0.5928 |
| logSw: | -0.9816 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.39 |
| InChI Key: | PTYBIUSKHLXFSX-UHFFFAOYSA-N |