ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dimethylphenoxy)methyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dimethylphenoxy)methyl]-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dimethylphenoxy)methyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8538-0449 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dimethylphenoxy)methyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 358.35 |
| Molecular Formula: | C16 H18 N6 O4 |
| Smiles: | CCOC(c1c(COc2cccc(C)c2C)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6882 |
| logD: | 2.6882 |
| logSw: | -2.5506 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.907 |
| InChI Key: | SMYSLBPXSPBLSU-UHFFFAOYSA-N |