ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8007-7218 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 369.38 |
| Molecular Formula: | C17 H19 N7 O3 |
| Smiles: | CCOC(c1c(CN2CCc3ccccc3C2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8895 |
| logD: | 1.6177 |
| logSw: | -2.1681 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.988 |
| InChI Key: | HBBQNPVXANDBOR-UHFFFAOYSA-N |