ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3-bromo-4-methylanilino)methyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3-bromo-4-methylanilino)methyl]-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3-bromo-4-methylanilino)methyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8012-4447 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3-bromo-4-methylanilino)methyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 422.24 |
| Molecular Formula: | C15 H16 Br N7 O3 |
| Smiles: | CCOC(c1c(CNc2ccc(C)c(c2)[Br])n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7627 |
| logD: | 2.7627 |
| logSw: | -2.99 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.827 |
| InChI Key: | UJHIADNNLJNJLM-UHFFFAOYSA-N |