ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8008-2492 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 383.32 |
| Molecular Formula: | C16 H13 N7 O5 |
| Smiles: | CCOC(c1c(CN2C(c3ccccc3C2=O)=O)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0045 |
| logD: | 1.0045 |
| logSw: | -2.3238 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 132.846 |
| InChI Key: | ZKFYGSQWMXHPHD-UHFFFAOYSA-N |