ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[benzyl(methyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[benzyl(methyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[benzyl(methyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8008-2271 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[benzyl(methyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 357.37 |
| Molecular Formula: | C16 H19 N7 O3 |
| Smiles: | CCOC(c1c(CN(C)Cc2ccccc2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6225 |
| logD: | 1.1808 |
| logSw: | -1.9258 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.437 |
| InChI Key: | USVKTOQVEQJTNA-UHFFFAOYSA-N |